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2-Bromo-3'-hydroxyacetophenone

CAT: 0926-FB19120-01Size: 5 gDry Ice: NoHazardous: No
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CAT#:0926-FB19120-01Size:5 g
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CAS Number
2491-37-4
Synonyms
2-Bromo-1- (3-hydroxyphenyl) ethanone;3-Hydroxyphenacyl bromide; m-Bromoacetylphenol
MDL Number
MFCD05664326
Smiles
C1=CC (=CC (=C1) O) C (=O) CBr
Molecular Formula
C8H7BrO2
Molecular Weight
215.04 g/mol
Controlled
No

Chemical Information

3-Hydroxyphenacyl bromide
CAS Number2491-37-4
PubChem CID6917206
IUPAC Name2-bromo-1-(3-hydroxyphenyl)ethanone
Molecular FormulaC8H7BrO2
Molecular Weight215.04
XLogP2.2
Topological Polar Surface Area37.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count2
Heavy Atom Count11
Formal Charge0
Complexity147
SMILES
C1=CC(=CC(=C1)O)C(=O)CBr
InChI
InChI=1S/C8H7BrO2/c9-5-8(11)6-2-1-3-7(10)4-6/h1-4,10H,5H2
InChIKey
IEPSGFQQGKPTPM-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 3-Hydroxyphenacyl bromide
CAS: 2491-37-4
CID: 6917206
Formula: C8H7BrO2
MW: 215.04
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight215.04
XLogP32.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count2
Exact Mass213.96294
Monoisotopic Mass213.96294
Topological Polar Surface Area37.3 Ų
Heavy Atom Count11
Formal Charge0
Complexity147
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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