4-Chlorosalicylic acid

CAT: 0931-T0666-01Size: 1 gDry Ice: NoHazardous: No

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CAT#:0931-T0666-01Size:1 g

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CAS Number

5106-98-9

Target

Antifungal, Tyrosinase, Antibacterial, Antibiotic

Related Pathways

Proteases/Proteasome, Microbiology/Virology

Purity

0.9938

Bioactivity

4-Chlorosalicylic acid (4-Chloro-2-hydroxybenzoic acid, 4-chloro salicylic acid) is antimicrobial compositions comprising a metal salt and a benzoic acid analog.

Smiles

OC(=O)C1=CC=C(Cl)C=C1O

Molecular Formula

C7H5ClO3

Molecular Weight

172.57

Shipping Conditions

Ice Packs

Storage Temperature

-20°C

Chemical Information

4-Chlorosalicylic acid

CAS Number	5106-98-9
PubChem CID	78782
IUPAC Name	4-chloro-2-hydroxybenzoic acid
Molecular Formula	C7H5ClO3
Molecular Weight	172.56
XLogP	3.1
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=C1Cl)O)C(=O)O

InChI

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

InChIKey

LWXFCZXRFBUOOR-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 5106-98-9

CID: 78782

Formula: C7H5ClO3

MW: 172.56

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	172.56
XLogP3	3.1
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

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Alternative Products

Catalog	Name
C6847-200	4-Chlorosalicylic acid
HY-W016867R-01	4-Chlorosalicylic acid (Standard)
sc-256899	5-Bromo-4-chlorosalicylic acid
268538-01	3-Chlorosalicylic acid
90026813-500g	5-Chlorosalicylic acid

4-Chlorosalicylic acid

Chemical Information

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