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1- (4-Bromophenyl) -2-propanol

CAT: 0024-sc-504264Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0024-sc-504264Size:25 mg
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CAS Number
6186-23-8

Chemical Information

1-(4-Bromophenyl)propan-2-ol
CAS Number6186-23-8
PubChem CID19882901
IUPAC Name1-(4-bromophenyl)propan-2-ol
Molecular FormulaC9H11BrO
Molecular Weight215.09
XLogP2.6
Topological Polar Surface Area20.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count1
Rotatable Bond Count2
Heavy Atom Count11
Formal Charge0
Complexity108
SMILES
CC(CC1=CC=C(C=C1)Br)O
InChI
InChI=1S/C9H11BrO/c1-7(11)6-8-2-4-9(10)5-3-8/h2-5,7,11H,6H2,1H3
InChIKey
PTJSRXRFTTYPFF-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 1-(4-Bromophenyl)propan-2-ol
CAS: 6186-23-8
CID: 19882901
Formula: C9H11BrO
MW: 215.09
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight215.09
XLogP32.6
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count1
Rotatable Bond Count2
Exact Mass213.99933
Monoisotopic Mass213.99933
Topological Polar Surface Area20.2 Ų
Heavy Atom Count11
Formal Charge0
Complexity108
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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