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4-Chlorophenylacetyl chloride

CAT: 0024-sc-232612Size: 5 gDry Ice: NoHazardous: No
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CAT#:0024-sc-232612Size:5 g
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CAS Number
25026-34-0

Chemical Information

4-Chlorophenylacetyl chloride
CAS Number25026-34-0
PubChem CID90692
IUPAC Name2-(4-chlorophenyl)acetyl chloride
Molecular FormulaC8H6Cl2O
Molecular Weight189.04
XLogP3.1
Topological Polar Surface Area17.1
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count2
Heavy Atom Count11
Formal Charge0
Complexity139
SMILES
C1=CC(=CC=C1CC(=O)Cl)Cl
InChI
InChI=1S/C8H6Cl2O/c9-7-3-1-6(2-4-7)5-8(10)11/h1-4H,5H2
InChIKey
UMQUIRYNOVNYPA-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 4-Chlorophenylacetyl chloride
CAS: 25026-34-0
CID: 90692
Formula: C8H6Cl2O
MW: 189.04
Interactive 3D Structure
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View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight189.04
XLogP33.1
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count2
Exact Mass187.9795702
Monoisotopic Mass187.9795702
Topological Polar Surface Area17.1 Ų
Heavy Atom Count11
Formal Charge0
Complexity139
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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