2-Bromo-3-methoxyphenol

CAT: 0127-OR399006-02Size: 1 gDry Ice: NoHazardous: No

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CAT#:0127-OR399006-02Size:1 g

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CAS Number

135999-16-5

Synonyms

2-Bromo-3-hydroxyanisole

MDL Number

MFCD09056758

Purity

98%

Smiles

COc1cccc(O)c1Br

Chemical Information

2-Bromo-3-methoxyphenol

CAS Number	135999-16-5
PubChem CID	15073622
IUPAC Name	2-bromo-3-methoxyphenol
Molecular Formula	C7H7BrO2
Molecular Weight	203.03
XLogP	2.2
Topological Polar Surface Area	29.5
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	1
Heavy Atom Count	10
Formal Charge	0
Complexity	108

SMILES

COC1=CC=CC(=C1Br)O

InChI

InChI=1S/C7H7BrO2/c1-10-6-4-2-3-5(9)7(6)8/h2-4,9H,1H3

InChIKey

GCFJMEJVRHBPJI-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 135999-16-5

CID: 15073622

Formula: C7H7BrO2

MW: 203.03

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	203.03
XLogP3	2.2
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	1
Exact Mass	201.96294
Monoisotopic Mass	201.96294
Topological Polar Surface Area	29.5 Å²
Heavy Atom Count	10
Formal Charge	0
Complexity	108
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