2907
  -OEChem-06302402102D

 29 29  0     1  0  0  0  0  0999 V2000
    5.0000   -2.7320    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -1.0000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    5.0000    0.7321    0.0000 P   0  0  3  0  0  0  0  0  0  0  0  0
    5.8660    1.2320    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.5000   -0.1340    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5000   -0.1340    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.1340    1.2320    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.1340    2.2320    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0000    2.7320    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8660    2.2320    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0000   -1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5000   -0.1340    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5000   -1.8660    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0000   -1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9219    2.8147    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5234    2.1244    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3985    3.2070    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6015    3.2070    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5970    0.9221    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4766    2.1244    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0781    2.8147    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4750   -1.3985    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4750   -0.6015    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6077    0.4766    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9174    0.0781    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0250   -1.4675    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0250   -2.2646    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8923   -1.6106    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5826   -1.2120    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 13  1  0  0  0  0
  2 14  1  0  0  0  0
  3  4  1  0  0  0  0
  3  5  2  0  0  0  0
  3  6  1  0  0  0  0
  3  7  1  0  0  0  0
  4 10  1  0  0  0  0
  6 11  1  0  0  0  0
  6 12  1  0  0  0  0
  7  8  1  0  0  0  0
  7 19  1  0  0  0  0
  8  9  1  0  0  0  0
  8 15  1  0  0  0  0
  8 16  1  0  0  0  0
  9 10  1  0  0  0  0
  9 17  1  0  0  0  0
  9 18  1  0  0  0  0
 10 20  1  0  0  0  0
 10 21  1  0  0  0  0
 11 13  1  0  0  0  0
 11 22  1  0  0  0  0
 11 23  1  0  0  0  0
 12 14  1  0  0  0  0
 12 24  1  0  0  0  0
 12 25  1  0  0  0  0
 13 26  1  0  0  0  0
 13 27  1  0  0  0  0
 14 28  1  0  0  0  0
 14 29  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
2907

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
212

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
4

> <PUBCHEM_CACTVS_HBOND_DONOR>
1

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
5

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADccBjMAIGAAAAAAAAAAAAAAAAAAAAAAAsAAAAAAAAAAAAAAAAHgIQgCAACAPhgEYAAAJAARAAQAAAAIAAAAAAAAAAAIAIAAAAAAAAAABAAAACEACAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
N,N-bis(2-chloroethyl)-2-oxo-1,3,2lambda5-oxazaphosphinan-2-amine

> <PUBCHEM_IUPAC_CAS_NAME>
N,N-bis(2-chloroethyl)-2-oxo-1,3,2lambda5-oxazaphosphorinan-2-amine

> <PUBCHEM_IUPAC_NAME_MARKUP>
<I>N</I>,<I>N</I>-bis(2-chloroethyl)-2-oxo-1,3,2&lambda;<SUP>5</SUP>-oxazaphosphinan-2-amine

> <PUBCHEM_IUPAC_NAME>
N,N-bis(2-chloroethyl)-2-oxo-1,3,2lambda5-oxazaphosphinan-2-amine

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
N,N-bis(2-chloroethyl)-2-oxidanylidene-1,3,2lambda5-oxazaphosphinan-2-amine

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
bis(2-chloroethyl)-(2-keto-1,3,2lambda5-oxazaphosphorinan-2-yl)amine

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C7H15Cl2N2O2P/c8-2-5-11(6-3-9)14(12)10-4-1-7-13-14/h1-7H2,(H,10,12)

> <PUBCHEM_IUPAC_INCHIKEY>
CMSMOCZEIVJLDB-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3>
0.6

> <PUBCHEM_EXACT_MASS>
260.0248201

> <PUBCHEM_MOLECULAR_FORMULA>
C7H15Cl2N2O2P

> <PUBCHEM_MOLECULAR_WEIGHT>
261.08

> <PUBCHEM_OPENEYE_CAN_SMILES>
C1CNP(=O)(OC1)N(CCCl)CCCl

> <PUBCHEM_OPENEYE_ISO_SMILES>
C1CNP(=O)(OC1)N(CCCl)CCCl

> <PUBCHEM_CACTVS_TPSA>
41.6

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
260.0248201

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
14

> <PUBCHEM_ATOM_DEF_STEREO_COUNT>
0

> <PUBCHEM_ATOM_UDEF_STEREO_COUNT>
1

> <PUBCHEM_BOND_DEF_STEREO_COUNT>
0

> <PUBCHEM_BOND_UDEF_STEREO_COUNT>
0

> <PUBCHEM_ISOTOPIC_ATOM_COUNT>
0

> <PUBCHEM_COMPONENT_COUNT>
1

> <PUBCHEM_CACTVS_TAUTO_COUNT>
2

> <PUBCHEM_COORDINATE_TYPE>
1
5
255

> <PUBCHEM_BONDANNOTATIONS>
3  6  3

$$$$
