α- (3-Bromophenyl) -2-methylbenzenemethanol

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CAS Number

149243-80-1

MDL Number

MFCD12153612

Smiles

C (O) (c1cc (Br) ccc1) c1c (C) cccc1

Chemical Information

(3-Bromophenyl)(o-tolyl)methanol

CAS Number	149243-80-1
PubChem CID	60798541
IUPAC Name	(3-bromophenyl)-(2-methylphenyl)methanol
Molecular Formula	C14H13BrO
Molecular Weight	277.16
XLogP	3.8
Topological Polar Surface Area	20.2
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	2
Heavy Atom Count	16
Formal Charge	0
Complexity	219

SMILES

CC1=CC=CC=C1C(C2=CC(=CC=C2)Br)O

InChI

InChI=1S/C14H13BrO/c1-10-5-2-3-8-13(10)14(16)11-6-4-7-12(15)9-11/h2-9,14,16H,1H3

InChIKey

JVBUUXIPQHBCHL-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 149243-80-1

CID: 60798541

Formula: C14H13BrO

MW: 277.16

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	277.16
XLogP3	3.8
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	2
Exact Mass	276.01498
Monoisotopic Mass	276.01498
Topological Polar Surface Area	20.2 Å²
Heavy Atom Count	16
Formal Charge	0
Complexity	219
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

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