Mrv0541 11261418312D          

  5  4  0  0  0  0            999 V2000
    0.0000   -0.8250    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 Cr  0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.8250    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    0.8250    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8250    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  2  0  0  0  0
  2  5  2  0  0  0  0
M  END
> <DATABASE_ID>
T3D1451

> <DATABASE_NAME>
t3db

> <SMILES>
Cl[Cr](Cl)(=O)=O

> <INCHI_IDENTIFIER>
InChI=1S/2ClH.Cr.2O/h2*1H;;;/q;;+2;;/p-2

> <INCHI_KEY>
AHXGRMIPHCAXFP-UHFFFAOYSA-L

> <FORMULA>
Cl2CrO2

> <MOLECULAR_WEIGHT>
154.901

> <EXACT_MASS>
153.868046562

> <JCHEM_ACCEPTOR_COUNT>
2

> <JCHEM_ATOM_COUNT>
5

> <JCHEM_AVERAGE_POLARIZABILITY>
9.029348339003063

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
dichlorodioxochromium

> <ALOGPS_LOGP>
0.56

> <JCHEM_LOGP>
-0.18380000000000007

> <ALOGPS_LOGS>
-1.19

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
0

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA_STRONGEST_BASIC>
-7.256884393478575

> <JCHEM_POLAR_SURFACE_AREA>
34.14

> <JCHEM_REFRACTIVITY>
15.1584

> <JCHEM_ROTATABLE_BOND_COUNT>
0

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
9.93e+00 g/l

> <JCHEM_TRADITIONAL_IUPAC>
chromyl chloride

> <JCHEM_VEBER_RULE>
1

> <T3DB_ID>
T3D1451

> <NAME>
Chromyl chloride

> <CAS>
14977-61-8

> <SYNONYMS>
(T-4)-dichlorodioxochromium; Chromic oxychloride; Chromium chloride oxide; Chromium dichloride dioxide; Chromium dioxide dichloride; Chromoxychlorid; Chromylchlorid; Chroomoxychloride; Cromile, cloruro di; Cromo, ossicloruro di; Dichlorodioxochromium; Dioxodichlorochromium; Oxychlorure chromique; [CrCl2O2]

> <TYPES>
Inorganic Compound; Chromium Compound; Pollutant; Industrial/Workplace Toxin; Synthetic Compound

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