4-Bromo-3-methylphenol

CAT: 0127-OR3061-01Size: 5 gDry Ice: NoHazardous: No

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CAT#:0127-OR3061-01Size:5 g

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CAS Number

14472-14-1

Synonyms

2-Bromo-5-hydroxytoluene, 4-Bromo-m-cresol

MDL Number

MFCD00079723

Purity

98%

Smiles

Cc1cc(O)ccc1Br

Chemical Information

4-Bromo-m-cresol

CAS Number	14472-14-1
PubChem CID	72857
IUPAC Name	4-bromo-3-methylphenol
Molecular Formula	C7H7BrO
Molecular Weight	187.03
XLogP	2
Topological Polar Surface Area	20.2
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	0
Heavy Atom Count	9
Formal Charge	0
Complexity	94

SMILES

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

InChI

InChI=1S/C7H7BrO/c1-5-4-6(9)2-3-7(5)8/h2-4,9H,1H3

InChIKey

GPOQODYGMUTOQL-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 14472-14-1

CID: 72857

Formula: C7H7BrO

MW: 187.03

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	187.03
XLogP3	2
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	0
Exact Mass	185.96803
Monoisotopic Mass	185.96803
Topological Polar Surface Area	20.2 Å²
Heavy Atom Count	9
Formal Charge	0
Complexity	94.9
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
FB45565	4-Bromo-3-methylphenol
sc-276085	3-Bromo-4-methylphenol
sc-261784	4-Bromo-3- (dimethylamino) methylphenol
TRC-B686105-10G	2-Bromo-4-methylphenol
430843-01	4-Bromo-2-methylphenol
ZWC61208	4-Bromo-2-chloro-3-methylphenol
232954-01	4-Bromo-3-methylphenol ≥97% (GC)
231707-01	3-Bromo-4-methylphenol ≥97% (GC)
EWB74046-01	2-amino-4-bromo-3-methylphenol
FB153870-01	2-Bromo-3-methylphenol