5-Chlorosalicylic acid

CAT: 0063-90026813Size: 500 gDry Ice: NoHazardous: No

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CAT#:0063-90026813Size:500 g

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CAS Number

321-14-2

Chemical Information

5-Chlorosalicylic Acid

5-chlorosalicylic acid is a monohydroxybenzoic acid that is 2-hydroxybenzoic acid (salicylic acid) in which the hydrogen at position 5 is replaced by chlorine. It is a chlorobenzoic acid, a monohydroxybenzoic acid and a member of monochlorobenzenes. It is functionally related to a benzoic acid. It is a conjugate acid of a 5-chlorosalicylate.

CAS Number	321-14-2
PubChem CID	9447
IUPAC Name	5-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)C(=O)O)O

InChI

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

InChIKey

NKBASRXWGAGQDP-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 321-14-2

CID: 9447

Formula: C7H5ClO3

MW: 172.56

Interactive 3D Structure

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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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5-Chlorosalicylic acid

Chemical Information

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