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5'-Chloro-2'-hydroxyacetophenone

CAT: 0127-OR1115-02Size: 2.5 KgDry Ice: NoHazardous: No
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CAT#:0127-OR1115-02Size:2.5 Kg
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CAS Number
1450-74-4
Synonyms
1- (5-Chloro-2-hydroxyphenyl) ethan-1-one
MDL Number
MFCD00067788
Purity
98%
Smiles
CC(=O)c1cc(Cl)ccc1O

Chemical Information

3-Chloro-6-hydroxyacetophenone
CAS Number1450-74-4
PubChem CID74061
IUPAC Name1-(5-chloro-2-hydroxyphenyl)ethanone
Molecular FormulaC8H7ClO2
Molecular Weight170.59
XLogP2.6
Topological Polar Surface Area37.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count1
Heavy Atom Count11
Formal Charge0
Complexity158
SMILES
CC(=O)C1=C(C=CC(=C1)Cl)O
InChI
InChI=1S/C8H7ClO2/c1-5(10)7-4-6(9)2-3-8(7)11/h2-4,11H,1H3
InChIKey
XTGCUDZCCIRWHL-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 3-Chloro-6-hydroxyacetophenone
CAS: 1450-74-4
CID: 74061
Formula: C8H7ClO2
MW: 170.59
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight170.59
XLogP32.6
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count1
Exact Mass170.0134572
Monoisotopic Mass170.0134572
Topological Polar Surface Area37.3 Ų
Heavy Atom Count11
Formal Charge0
Complexity158
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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