2-Chlorobenzoic Acid

CAT: 0572-TRC-C364640-25GSize: 25 gDry Ice: NoHazardous: No

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CAT#:0572-TRC-C364640-25GSize:25 g

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CAS Number

118-91-2

Synonyms

Mefenamic Acid Imp. C (EP); Mesalazine Imp. L (EP); 2-Chlorobenzoic Acid; Mefenamic Acid Impurity C; Mesalazine Impurity L; Tolfenamic Acid Impurity A

Hazard Statement

Causes skin irritation

Purity

>95% (HPLC)

Smiles

OC(=O)c1ccccc1Cl

Molecular Formula

C7 H5 Cl O2

Molecular Weight

156.57

InChI

InChI=1S/C7H5ClO2/c8-6-4-2-1-3-5(6)7(9)10/h1-4H,(H,9,10)

Additionnal Information

IUPAC name: 2-chlorobenzoic acid

Shipping Conditions

Room Temperature

Storage Conditions

+4°C

Chemical Information

2-Chlorobenzoic Acid

2-chlorobenzoic acid is a monochlorobenzoic acid having the chloro group at the 2-position. It has a role as a plant hormone and a plant metabolite. It is a monochlorobenzoic acid and a 2-halobenzoic acid. It is a conjugate acid of a 2-chlorobenzoate.

CAS Number	118-91-2
PubChem CID	8374
IUPAC Name	2-chlorobenzoic acid
Molecular Formula	C7H5ClO2
Molecular Weight	156.56
XLogP	2.1
Topological Polar Surface Area	37.3
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	1
Heavy Atom Count	10
Formal Charge	0
Complexity	136

SMILES

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

InChI

InChI=1S/C7H5ClO2/c8-6-4-2-1-3-5(6)7(9)10/h1-4H,(H,9,10)

InChIKey

IKCLCGXPQILATA-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 118-91-2

CID: 8374

Formula: C7H5ClO2

MW: 156.56

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	156.56
XLogP3	2.1
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	1
Exact Mass	155.9978071
Monoisotopic Mass	155.9978071
Topological Polar Surface Area	37.3 Å²
Heavy Atom Count	10
Formal Charge	0
Complexity	136
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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MBS6021762-01	2-Chlorobenzoic Acid
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2-Chlorobenzoic Acid

Chemical Information

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