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4'-Chloro-3'-methylacetophenone

CAT: 0024-sc-233104Size: 10 gDry Ice: NoHazardous: No
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CAT#:0024-sc-233104Size:10 g
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CAS Number
37074-39-8

Chemical Information

4'-Chloro-3'-methylacetophenone
CAS Number37074-39-8
PubChem CID592743
IUPAC Name1-(4-chloro-3-methylphenyl)ethanone
Molecular FormulaC9H9ClO
Molecular Weight168.62
XLogP3.1
Topological Polar Surface Area17.1
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count1
Heavy Atom Count11
Formal Charge0
Complexity156
SMILES
CC1=C(C=CC(=C1)C(=O)C)Cl
InChI
InChI=1S/C9H9ClO/c1-6-5-8(7(2)11)3-4-9(6)10/h3-5H,1-2H3
InChIKey
XOIGZLJCLDWTQH-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 4'-Chloro-3'-methylacetophenone
CAS: 37074-39-8
CID: 592743
Formula: C9H9ClO
MW: 168.62
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight168.62
XLogP33.1
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count1
Exact Mass168.0341926
Monoisotopic Mass168.0341926
Topological Polar Surface Area17.1 Ų
Heavy Atom Count11
Formal Charge0
Complexity156
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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TRC-C370965-10G4-Chloro-3-methylacetophenone
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