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2- (4-Bromophenyl) -2-methylpropan-1-ol

CAT: 0926-HBA45437-01Size: 0.5 gDry Ice: NoHazardous: No
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CAT#:0926-HBA45437-01Size:0.5 g
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
32454-37-8
MDL Number
MFCD11938558
Smiles
CC (C) (CO) C1=CC=C (C=C1) Br
Molecular Formula
C10H13BrO
Molecular Weight
229.11 g/mol
Controlled
No

Chemical Information

4-Bromo-beta,beta-dimethylbenzeneethanol
CAS Number32454-37-8
PubChem CID12805124
IUPAC Name2-(4-bromophenyl)-2-methylpropan-1-ol
Molecular FormulaC10H13BrO
Molecular Weight229.11
XLogP3.1
Topological Polar Surface Area20.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count1
Rotatable Bond Count2
Heavy Atom Count12
Formal Charge0
Complexity137
SMILES
CC(C)(CO)C1=CC=C(C=C1)Br
InChI
InChI=1S/C10H13BrO/c1-10(2,7-12)8-3-5-9(11)6-4-8/h3-6,12H,7H2,1-2H3
InChIKey
HHHZLLZSLJJFER-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 4-Bromo-beta,beta-dimethylbenzeneethanol
CAS: 32454-37-8
CID: 12805124
Formula: C10H13BrO
MW: 229.11
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight229.11
XLogP33.1
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count1
Rotatable Bond Count2
Exact Mass228.01498
Monoisotopic Mass228.01498
Topological Polar Surface Area20.2 Ų
Heavy Atom Count12
Formal Charge0
Complexity137
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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