2-Bromo-α, α-dimethylbenzeneethanol

CAT: 0127-OR1096660Size: 1 EachDry Ice: NoHazardous: No

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CAS Number

126495-44-1

Smiles

C (C (C) (C) O) c1c (Br) cccc1

Chemical Information

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

CAS Number	126495-44-1
PubChem CID	11009731
IUPAC Name	1-(2-bromophenyl)-2-methylpropan-2-ol
Molecular Formula	C10H13BrO
Molecular Weight	229.11
XLogP	2.8
Topological Polar Surface Area	20.2
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	2
Heavy Atom Count	12
Formal Charge	0
Complexity	145

SMILES

CC(C)(CC1=CC=CC=C1Br)O

InChI

InChI=1S/C10H13BrO/c1-10(2,12)7-8-5-3-4-6-9(8)11/h3-6,12H,7H2,1-2H3

InChIKey

UXQJCRYQCNOUMH-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 126495-44-1

CID: 11009731

Formula: C10H13BrO

MW: 229.11

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	229.11
XLogP3	2.8
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	2
Exact Mass	228.01498
Monoisotopic Mass	228.01498
Topological Polar Surface Area	20.2 Å²
Heavy Atom Count	12
Formal Charge	0
Complexity	145
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
OR1098640-01	3-Bromo-2,6-dimethylbenzenemethanol
PC1021877-01	4-Bromo-2-fluoro-α, α-dimethylbenzenemethanol
PC1012709-01	2-Bromo-3-fluoro-α,4-dimethylbenzenemethanol
PC1014732-01	4-Bromo-2,5-difluoro-α, α-dimethylbenzenemethanol
PC1014405-01	2-Bromo-3,6-difluoro-α, α-dimethylbenzenemethanol
OR1086651-01	3-Bromo-4-chloro-α, α-dimethylbenzenemethanol
OR1034141-01	(aR) -4-Bromo-a,3-dimethylbenzenemethanol
OR1101138-01	3-Bromo-5-methoxy-α, α-dimethylbenzenemethanol
OR59336-01	2-Bromo-2-methylpropanamide
PC9604-01	2-Bromo-2-fluoroacetamide

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