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2-Chlorophenyl chloroformate

CAT: 0024-sc-225317Size: 5 gDry Ice: NoHazardous: No
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CAT#:0024-sc-225317Size:5 g
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CAS Number
19358-41-9

Chemical Information

2-Chlorophenyl chloroformate
CAS Number19358-41-9
PubChem CID4184068
IUPAC Name(2-chlorophenyl) carbonochloridate
Molecular FormulaC7H4Cl2O2
Molecular Weight191.01
XLogP3.2
Topological Polar Surface Area26.3
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count2
Heavy Atom Count11
Formal Charge0
Complexity149
SMILES
C1=CC=C(C(=C1)OC(=O)Cl)Cl
InChI
InChI=1S/C7H4Cl2O2/c8-5-3-1-2-4-6(5)11-7(9)10/h1-4H
InChIKey
PENYBFRQSLVMLW-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2-Chlorophenyl chloroformate
CAS: 19358-41-9
CID: 4184068
Formula: C7H4Cl2O2
MW: 191.01
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight191.01
XLogP33.2
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count2
Exact Mass189.9588348
Monoisotopic Mass189.9588348
Topological Polar Surface Area26.3 Ų
Heavy Atom Count11
Formal Charge0
Complexity149
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