3-Bromo-5-hydroxybenzoic acid

CAT: 0127-OR20019-01Size: 1 gDry Ice: NoHazardous: No

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CAT#:0127-OR20019-01Size:1 g

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CAS Number

140472-69-1

MDL Number

MFCD06797980

Purity

97%

Smiles

OC(=O)c1cc(O)cc(Br)c1

Chemical Information

3-Bromo-5-hydroxybenzoic acid

CAS Number	140472-69-1
PubChem CID	15735511
IUPAC Name	3-bromo-5-hydroxybenzoic acid
Molecular Formula	C7H5BrO3
Molecular Weight	217.02
XLogP	1.9
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=C(C=C(C=C1O)Br)C(=O)O

InChI

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

InChIKey

WGIBEMRBLBGETQ-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 140472-69-1

CID: 15735511

Formula: C7H5BrO3

MW: 217.02

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	217.02
XLogP3	1.9
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
OR400079-01	2-Bromo-5-hydroxybenzoic acid
OR43524-01	5-Bromo-2-hydroxybenzoic acid
OR1097571-01	5-bromo-3-chloro-2-hydroxybenzoic acid
OR1099988-01	3-Bromo-5-formyl-2-hydroxybenzoic acid
OR1073341-01	4-Bromo-3-chloro-5-hydroxybenzoic acid
OR77999	3-Bromo-4-chloro-5-hydroxybenzoic acid
OR1061457-01	2-Amino-5-bromo-3-hydroxybenzoic acid
PC111573-01	2-Bromo-5-fluoro-3-hydroxybenzoic acid
PC51186-01	5-Bromo-3-fluoro-2-hydroxybenzoic acid
PC501164	3-Bromo-5-fluoro-2-hydroxybenzoic acid

Catalog	Name
JH632459	3-Bromo-5-hydroxybenzoic acid
TRC-B619405-2.5G	2-Bromo-5-hydroxybenzoic acid
BKA30029	5-Bromo-3-fluoro-2-hydroxybenzoic acid
NID86955-01	3-Bromo-5-formyl-4-hydroxybenzoic acid
ARB12727-01	5-Amino-2-bromo-3-hydroxybenzoic acid
CAA20085-01	5-Bromo-3-chloro-2-hydroxybenzoic acid
415216-01	2-Amino-5-bromo-3-hydroxybenzoic Acid
EAA06858-01	3-Bromo-5-chloro-2-hydroxybenzoic acid
EAA18042-01	3-Bromo-5-fluoro-2-hydroxybenzoic acid
FB70056	3-Bromo-4-hydroxybenzoic acid