3-bromo-2,4-dimethylphenol

CAT: 0926-ZCA57181Size: 5 gDry Ice: NoHazardous: No

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CAT#:0926-ZCA57181Size:5 g

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CAS Number

74571-81-6

MDL Number

MFCD24714037

Smiles

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

Molecular Formula

C8H9BrO

Molecular Weight

201.06 g/mol

Controlled

Chemical Information

3-Bromo-2,4-dimethylphenol

CAS Number	74571-81-6
PubChem CID	12617734
IUPAC Name	3-bromo-2,4-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)O)C)Br

InChI

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

InChIKey

ARFXFBQNZCNFHV-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 74571-81-6

CID: 12617734

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
ZCA57180-01	5-Bromo-2,4-dimethylphenol
QAA19136	2-Bromo-4,6-dimethylphenol
WCA94214-01	3-Bromo-4,5-dimethylphenol
FB16257-01	4-Bromo-3,5-dimethylphenol
AFA23708	2-bromo-3,5-dimethylphenol
XCA63860-01	3-Bromo-2,5-dimethylphenol
FT67255-01	2,4,6-Tribromo-3,5-dimethylphenol
FM62636-01	4,4'-Methylenebis (2,6-dimethylphenol)
LEA32941	4,4'-Methylenebis (2,5-dimethylphenol)
KAA57069-01	4-Ethyl-2,6-dimethylphenol

Catalog	Name
OR88404-01	3-Bromo-2,4-dimethylphenol
OR90474-01	4-Bromo-2,3-dimethylphenol
OR1093744	5-Bromo-2,4-dimethylphenol
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OR5479	4-Bromo-2,6-dimethylphenol
OR15140-01	2-Bromo-4,6-dimethylphenol
OR94716-01	2-Bromo-4,5-dimethylphenol
262126-01	4-Bromo-3,5-dimethylphenol
OR1043197-01	3-Bromo-4,5-dimethylphenol
OR1085650-01	6-Bromo-4-methoxy-2,3-dimethylphenol