24813
  -OEChem-05122403542D

  5  4  0     0  0  0  0  0  0999 V2000
    3.7320    0.5000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -0.5000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.3660    0.8660    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    0.0000    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
    3.3660   -0.8660    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  4  1  0  0  0  0
  2  4  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
24813

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
53

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
1

> <PUBCHEM_CACTVS_HBOND_DONOR>
0

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
0

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADcQAAIAIGAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAACAAAAAAAAAAAAAAAAAAQAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
phosphoryl trichloride

> <PUBCHEM_IUPAC_CAS_NAME>
phosphoryl trichloride

> <PUBCHEM_IUPAC_NAME_MARKUP>
phosphoryl trichloride

> <PUBCHEM_IUPAC_NAME>
phosphoryl trichloride

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
phosphoryl trichloride

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
phosphoryl trichloride

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/Cl3OP/c1-5(2,3)4

> <PUBCHEM_IUPAC_INCHIKEY>
XHXFXVLFKHQFAL-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
1.7

> <PUBCHEM_EXACT_MASS>
151.875235

> <PUBCHEM_MOLECULAR_FORMULA>
Cl3OP

> <PUBCHEM_MOLECULAR_WEIGHT>
153.33

> <PUBCHEM_OPENEYE_CAN_SMILES>
O=P(Cl)(Cl)Cl

> <PUBCHEM_OPENEYE_ISO_SMILES>
O=P(Cl)(Cl)Cl

> <PUBCHEM_CACTVS_TPSA>
17.1

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
151.875235

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
5

> <PUBCHEM_ATOM_DEF_STEREO_COUNT>
0

> <PUBCHEM_ATOM_UDEF_STEREO_COUNT>
0

> <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>
-1

> <PUBCHEM_COORDINATE_TYPE>
1
5
255

$$$$