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Dichlorvos-d6

CAT: 1596-AR-D06915-02Size: 25 UnitsDry Ice: NoHazardous: No
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CAT#:1596-AR-D06915-02Size:25 Units
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CAS Number
203645-53-8
Molecular Formula
C4HD6Cl2O4P
Molecular Weight
227.01
API Name
Dichlorvos

Chemical Information

Dichlorvos-d6

See also: 2,2-Dichloroethenyl di(methyl-d3) phosphate (annotation moved to).

CAS Number203645-53-8
PubChem CID45038979
IUPAC Name2,2-dichloroethenyl bis(trideuteriomethyl) phosphate
Molecular FormulaC4H7Cl2O4P
Molecular Weight227.01
XLogP1.4
Topological Polar Surface Area44.8
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count4
Heavy Atom Count11
Formal Charge0
Complexity181
SMILES
[2H]C([2H])([2H])OP(=O)(OC=C(Cl)Cl)OC([2H])([2H])[2H]
InChI
InChI=1S/C4H7Cl2O4P/c1-8-11(7,9-2)10-3-4(5)6/h3H,1-2H3/i1D3,2D3
InChIKey
OEBRKCOSUFCWJD-WFGJKAKNSA-N
Chemical Structure
2D Structure
2D structure of Dichlorvos-d6
CAS: 203645-53-8
CID: 45038979
Formula: C4H7Cl2O4P
MW: 227.01
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight227.01
XLogP31.4
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count4
Exact Mass225.9835616
Monoisotopic Mass225.9835616
Topological Polar Surface Area44.8 Ų
Heavy Atom Count11
Formal Charge0
Complexity181
Isotope Atom Count6
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes