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

CAT: 0127-OR1077145-01Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0127-OR1077145-01Size:100 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
177748-64-0
Purity
98%
Smiles
OCC (C) (C) C1=CC=CC=C1Br

Chemical Information

2-(2-Bromophenyl)-2-methylpropan-1-ol
CAS Number177748-64-0
PubChem CID10633149
IUPAC Name2-(2-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
Complexity145
SMILES
CC(C)(CO)C1=CC=CC=C1Br
InChI
InChI=1S/C10H13BrO/c1-10(2,7-12)8-5-3-4-6-9(8)11/h3-6,12H,7H2,1-2H3
InChIKey
QHBKDZMVUSVCNJ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2-(2-Bromophenyl)-2-methylpropan-1-ol
CAS: 177748-64-0
CID: 10633149
Formula: C10H13BrO
MW: 229.11
Interactive 3D Structure
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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
Complexity145
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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