62754
  -OEChem-04242418142D

  8  7  0     0  0  0  0  0  0999 V2000
    5.4641    0.7500    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    0.7500    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    0.7500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -0.7500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1996   -0.2249    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9966   -0.2249    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  5  1  0  0  0  0
  3  6  1  0  0  0  0
  4  6  2  0  0  0  0
  5  7  1  0  0  0  0
  5  8  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
62754

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
53.5

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
2

> <PUBCHEM_CACTVS_HBOND_DONOR>
0

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
2

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADcQBAMAAGAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAEgIAAAAAAAAAAEIACAAABAAIAAAICAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
chloromethyl carbonochloridate

> <PUBCHEM_IUPAC_CAS_NAME>
carbonochloridic acid chloromethyl ester

> <PUBCHEM_IUPAC_NAME_MARKUP>
chloromethyl carbonochloridate

> <PUBCHEM_IUPAC_NAME>
chloromethyl carbonochloridate

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
chloromethyl carbonochloridate

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
chlorocarbonic acid chloromethyl ester

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C2H2Cl2O2/c3-1-6-2(4)5/h1H2

> <PUBCHEM_IUPAC_INCHIKEY>
JYWJULGYGOLCGW-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
1.9

> <PUBCHEM_EXACT_MASS>
127.9431847

> <PUBCHEM_MOLECULAR_FORMULA>
C2H2Cl2O2

> <PUBCHEM_MOLECULAR_WEIGHT>
128.94

> <PUBCHEM_OPENEYE_CAN_SMILES>
C(OC(=O)Cl)Cl

> <PUBCHEM_OPENEYE_ISO_SMILES>
C(OC(=O)Cl)Cl

> <PUBCHEM_CACTVS_TPSA>
26.3

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
127.9431847

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
6

> <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

$$$$