3-chloro-5-hydroxybenzoic Acid

CAT: 0957-S5400-01Size: 25 mgDry Ice: NoHazardous: No

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CAT#:0957-S5400-01Size:25 mg

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Description

3-chloro-5-hydroxybenzoic Acid is a selective agonist of the lactate receptor GPR81.

CAS Number

53984-36-4

Target

GPR

Activity

GPCR & G Protein

Molecular Formula

C7H5ClO3

Storage Conditions

3 years -20°C powder

Chemical Information

3-Chloro-5-hydroxybenzoic Acid

A potent GPR81 agonist.

CAS Number	53984-36-4
PubChem CID	13071646
IUPAC Name	3-chloro-5-hydroxybenzoic acid
Molecular Formula	C7H5ClO3
Molecular Weight	172.56
XLogP	1.8
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)Cl)C(=O)O

InChI

InChI=1S/C7H5ClO3/c8-5-1-4(7(10)11)2-6(9)3-5/h1-3,9H,(H,10,11)

InChIKey

RJOLIYHZZKAIET-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 53984-36-4

CID: 13071646

Formula: C7H5ClO3

MW: 172.56

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	172.56
XLogP3	1.8
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	1
Exact Mass	171.9927217
Monoisotopic Mass	171.9927217
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
FC51517-01	3-Chloro-5-hydroxybenzoic acid
230165-01	2-Chloro-5-hydroxybenzoic acid
RG-E141485-01	5-Chloro-2-hydroxybenzoic acid
CAA20085-01	5-Bromo-3-chloro-2-hydroxybenzoic acid
FJB64185-01	3-Chloro-5-formyl-4-hydroxybenzoic acid
TRC-C375058-10MG	3-chloro-5-fluoro-2-hydroxybenzoic Acid