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2- (4-Bromophenyl) propan-2-ol

CAT: 0127-OR350074-01Size: 1 gDry Ice: NoHazardous: No
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CAT#:0127-OR350074-01Size:1 g
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CAS Number
2077-19-2
MDL Number
MFCD11870096
Purity
98%
Smiles
CC(C)(O)c1ccc(Br)cc1

Chemical Information

2-(4-Bromophenyl)propan-2-ol
CAS Number2077-19-2
PubChem CID12681920
IUPAC Name2-(4-bromophenyl)propan-2-ol
Molecular FormulaC9H11BrO
Molecular Weight215.09
XLogP2.3
Topological Polar Surface Area20.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count1
Rotatable Bond Count1
Heavy Atom Count11
Formal Charge0
Complexity126
SMILES
CC(C)(C1=CC=C(C=C1)Br)O
InChI
InChI=1S/C9H11BrO/c1-9(2,11)7-3-5-8(10)6-4-7/h3-6,11H,1-2H3
InChIKey
AOGYBHJTXLXRSM-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2-(4-Bromophenyl)propan-2-ol
CAS: 2077-19-2
CID: 12681920
Formula: C9H11BrO
MW: 215.09
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight215.09
XLogP32.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count1
Rotatable Bond Count1
Exact Mass213.99933
Monoisotopic Mass213.99933
Topological Polar Surface Area20.2 Ų
Heavy Atom Count11
Formal Charge0
Complexity126
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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