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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
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View on PubChemRaw 3D data
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

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1011240 1002'-Amino Acetophenone For Synthesis
1011290 5004'-Amino Acetophenone For Synthesis
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