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4-Chlorophenyl Dichlorophosphate

CAT: 0572-TRC-C424285-5GSize: 5 gDry Ice: NoHazardous: Yes
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CAT#:0572-TRC-C424285-5GSize:5 g
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
772-79-2
Synonyms
4-Chlorophenyl Dichlorophosphinate; 4-Chlorophenyl Phosphorodichloridate;p-Chlorophenyl Dichlorophosphate; p-Chlorophenyl Phosphorodichloridate;
Hazard Statement
No Data Available; UN number: UN3265; Packing Group: II
Smiles
Clc1ccc(OP(=O)(Cl)Cl)cc1
Molecular Formula
C6H4Cl3O2P
Molecular Weight
245.43
Shipping Conditions
Room Temperature

Chemical Information

p-Chlorophenyl dichlorophosphate
CAS Number772-79-2
PubChem CID69879
IUPAC Name1-chloro-4-dichlorophosphoryloxybenzene
Molecular FormulaC6H4Cl3O2P
Molecular Weight245.4
XLogP3.4
Topological Polar Surface Area26.3
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count2
Heavy Atom Count12
Formal Charge0
Complexity185
SMILES
C1=CC(=CC=C1OP(=O)(Cl)Cl)Cl
InChI
InChI=1S/C6H4Cl3O2P/c7-5-1-3-6(4-2-5)11-12(8,9)10/h1-4H
InChIKey
CCZMQYGSXWZFKI-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of p-Chlorophenyl dichlorophosphate
CAS: 772-79-2
CID: 69879
Formula: C6H4Cl3O2P
MW: 245.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight245.4
XLogP33.4
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count2
Exact Mass243.901449
Monoisotopic Mass243.901449
Topological Polar Surface Area26.3 Ų
Heavy Atom Count12
Formal Charge0
Complexity185
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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