3-Chlorosalicylic acid

CAT: 0063-90026432Size: 1 gDry Ice: NoHazardous: No

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CAT#:0063-90026432Size:1 g

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CAS Number

1829-32-9

Chemical Information

3-Chlorosalicylic acid

CAS Number	1829-32-9
PubChem CID	74585
IUPAC Name	3-chloro-2-hydroxybenzoic acid
Molecular Formula	C7H5ClO3
Molecular Weight	172.56
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(=C1)Cl)O)C(=O)O

InChI

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

InChIKey

PPINMMULCRBDOS-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 1829-32-9

CID: 74585

Formula: C7H5ClO3

MW: 172.56

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	172.56
XLogP3	2.2
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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