6-Bromo-2,3-dimethylphenol

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CAS Number

951161-67-4

MDL Number

MFCD22414708

Smiles

C1 (ccc (c (c1O) C) C) Br

Chemical Information

6-Bromo-2,3-dimethylphenol

CAS Number	951161-67-4
PubChem CID	22345930
IUPAC Name	6-bromo-2,3-dimethylphenol
Molecular Formula	C8H9BrO
Molecular Weight	201.06
XLogP	3
Topological Polar Surface Area	20.2
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	0
Heavy Atom Count	10
Formal Charge	0
Complexity	116

SMILES

CC1=C(C(=C(C=C1)Br)O)C

InChI

InChI=1S/C8H9BrO/c1-5-3-4-7(9)8(10)6(5)2/h3-4,10H,1-2H3

InChIKey

OMWIEKUXKZIWCU-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 951161-67-4

CID: 22345930

Formula: C8H9BrO

MW: 201.06

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	201.06
XLogP3	3
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	0
Exact Mass	199.98368
Monoisotopic Mass	199.98368
Topological Polar Surface Area	20.2 Å²
Heavy Atom Count	10
Formal Charge	0
Complexity	116
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
OR1069126-01	2-Bromo-3,6-dimethylphenol
OR1101073-01	3-bromo-2,6-dimethylphenol
OR59890-01	4-Bromo-2,6-dimethylphenol
OR15140-01	2-Bromo-4,6-dimethylphenol
OR5479	4-Bromo-2,6-dimethylphenol
OR1085650-01	6-Bromo-4-methoxy-2,3-dimethylphenol
OR88404-01	3-Bromo-2,4-dimethylphenol
OR1093652	3-Bromo-2,5-dimethylphenol
OR90474-01	4-Bromo-2,3-dimethylphenol
OR18744-01	2-Bromo-3,5-dimethylphenol

Catalog	Name
sc-256081A	2-Bromo-4,6-dimethylphenol
430930-01	4-Bromo-2,6-dimethylphenol
004759	4-Bromo-2,6-dimethylphenol-d8
ZCA57181	3-bromo-2,4-dimethylphenol
XCA63860-01	3-Bromo-2,5-dimethylphenol
AFA23708	2-bromo-3,5-dimethylphenol
TRC-D465855-10G	2,6-Dimethylphenol
TRC-B684177-250MG	4-Bromo-2,6-dimethylphenol-d8 (Major)
GAA99464-01	3-Amino-2,6-dimethylphenol
sc-337050	6-amino-2,3-dimethylphenol