4-Bromo-3-hydroxybenzoic acid

CAT: 0127-OR9414-01Size: 250 mgDry Ice: NoHazardous: No

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CAT#:0127-OR9414-01Size:250 mg

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CAS Number

14348-38-0

Synonyms

2-Bromo-5-carboxyphenol

MDL Number

MFCD08056371

Purity

98%

Smiles

OC(=O)c1ccc(Br)c(O)c1

Chemical Information

4-Bromo-3-hydroxybenzoic acid

CAS Number	14348-38-0
PubChem CID	6420973
IUPAC Name	4-bromo-3-hydroxybenzoic acid
Molecular Formula	C7H5BrO3
Molecular Weight	217.02
XLogP	2.2
Topological Polar Surface Area	57.5
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	1
Heavy Atom Count	11
Formal Charge	0
Complexity	160

SMILES

C1=CC(=C(C=C1C(=O)O)O)Br

InChI

InChI=1S/C7H5BrO3/c8-5-2-1-4(7(10)11)3-6(5)9/h1-3,9H,(H,10,11)

InChIKey

PAJSESFUWIYFNF-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 14348-38-0

CID: 6420973

Formula: C7H5BrO3

MW: 217.02

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	217.02
XLogP3	2.2
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	1
Exact Mass	215.94221
Monoisotopic Mass	215.94221
Topological Polar Surface Area	57.5 Å²
Heavy Atom Count	11
Formal Charge	0
Complexity	160
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
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OR1073341-01	4-Bromo-3-chloro-5-hydroxybenzoic acid
OR77999	3-Bromo-4-chloro-5-hydroxybenzoic acid
PC1012753-01	3-Bromo-2-fluoro-4-hydroxybenzoic acid
PC51165-01	4-Bromo-3-fluoro-2-hydroxybenzoic acid
PC1007776-01	4-Bromo-3-fluoro-5-hydroxybenzoic acid
OR1049702-01	4-Bromo-2-chloro-3-hydroxybenzoic acid
OR84821-01	3-Bromo-5-chloro-4-hydroxybenzoic acid

Catalog	Name
FB70056	3-Bromo-4-hydroxybenzoic acid
HY-W003445-01	4-Bromo-3-hydroxybenzoic acid
HY-W003445R	4-Bromo-3-hydroxybenzoic acid (Standard)
FB70486-01	4-Bromo-2-hydroxybenzoic acid
TRC-B852600-250MG	2-Bromo-4-hydroxybenzoic acid