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5'-Chloro-2'-hydroxy-4'-methylacetophenone

CAT: 0127-OR1116-01Size: 1 gDry Ice: NoHazardous: No
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CAT#:0127-OR1116-01Size:1 g
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CAS Number
28480-70-8
MDL Number
MFCD00191920
Purity
98%
Smiles
CC(=O)c1cc(Cl)c(C)cc1O

Chemical Information

5'-Chloro-2'-hydroxy-4'-methylacetophenone
CAS Number28480-70-8
PubChem CID598229
IUPAC Name1-(5-chloro-2-hydroxy-4-methylphenyl)ethanone
Molecular FormulaC9H9ClO2
Molecular Weight184.62
XLogP2.8
Topological Polar Surface Area37.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count1
Heavy Atom Count12
Formal Charge0
Complexity181
SMILES
CC1=CC(=C(C=C1Cl)C(=O)C)O
InChI
InChI=1S/C9H9ClO2/c1-5-3-9(12)7(6(2)11)4-8(5)10/h3-4,12H,1-2H3
InChIKey
HDUSGGZSLVCDKY-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 5'-Chloro-2'-hydroxy-4'-methylacetophenone
CAS: 28480-70-8
CID: 598229
Formula: C9H9ClO2
MW: 184.62
Interactive 3D Structure
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View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight184.62
XLogP32.8
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count1
Exact Mass184.0291072
Monoisotopic Mass184.0291072
Topological Polar Surface Area37.3 Ų
Heavy Atom Count12
Formal Charge0
Complexity181
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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