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O-Chloro Acetophenone for Synthesis

CAT: 0459-047105-01Size: 25 gDry Ice: NoHazardous: No
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CAT#:0459-047105-01Size:25 g
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CAS Number
532-27-4

Chemical Information

2-Chloroacetophenone

2-chloroacetophenone appears as a riot control agent and chemical warfare tear gas agent. A white crystalline solid. Denser than water and insoluble in water. Hence sinks in water. A lachrymator: vapors are very irritating to the eyes. Has a floral odor.

CAS Number532-27-4
PubChem CID10757
IUPAC Name2-chloro-1-phenylethanone
Molecular FormulaC8H7ClO
Molecular Weight154.59
XLogP2.3
Topological Polar Surface Area17.1
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count2
Heavy Atom Count10
Formal Charge0
Complexity116
SMILES
C1=CC=C(C=C1)C(=O)CCl
InChI
InChI=1S/C8H7ClO/c9-6-8(10)7-4-2-1-3-5-7/h1-5H,6H2
InChIKey
IMACFCSSMIZSPP-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2-Chloroacetophenone
CAS: 532-27-4
CID: 10757
Formula: C8H7ClO
MW: 154.59
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight154.59
XLogP32.3
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count2
Exact Mass154.0185425
Monoisotopic Mass154.0185425
Topological Polar Surface Area17.1 Ų
Heavy Atom Count10
Formal Charge0
Complexity116
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