Mrv1572004191604202D          

  6  5  0  0  0  0            999 V2000
    1.2375    0.7145    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8250    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8250    1.4289    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    1.2375   -0.7145    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.0625    0.7145    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  1  0  0  0  0
  4  2  1  0  0  0  0
  5  1  2  0  0  0  0
  6  2  2  0  0  0  0
M  END
> <DATABASE_ID>
CHEM015102

> <DATABASE_NAME>
chemdb

> <SMILES>
ClC(=O)C(Cl)=O

> <INCHI_IDENTIFIER>
InChI=1S/C2Cl2O2/c3-1(5)2(4)6

> <INCHI_KEY>
CTSLXHKWHWQRSH-UHFFFAOYSA-N

> <FORMULA>
C2Cl2O2

> <MOLECULAR_WEIGHT>
126.92

> <EXACT_MASS>
125.9275346

> <JCHEM_ACCEPTOR_COUNT>
2

> <JCHEM_ATOM_COUNT>
6

> <JCHEM_AVERAGE_POLARIZABILITY>
8.545183950793932

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
oxalic dichloride

> <ALOGPS_LOGP>
0.71

> <JCHEM_LOGP>
0.8029077206666666

> <ALOGPS_LOGS>
-1.58

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
0

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_POLAR_SURFACE_AREA>
34.14

> <JCHEM_REFRACTIVITY>
22.155600000000007

> <JCHEM_ROTATABLE_BOND_COUNT>
1

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
3.36e+00 g/l

> <JCHEM_TRADITIONAL_IUPAC>
oxalyl chloride

> <JCHEM_VEBER_RULE>
1

> <NAME>
Ethanedioyl dichloride

> <CAS>
79-37-8

> <SYNONYMS>
oxalyl dichloride

$$$$