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2-Chlorobenzoic acid

CAT: 0024-sc-254218Size: 5 gDry Ice: NoHazardous: No
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CAT#:0024-sc-254218Size:5 g
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CAS Number
118-91-2

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 Number118-91-2
PubChem CID8374
IUPAC Name2-chlorobenzoic acid
Molecular FormulaC7H5ClO2
Molecular Weight156.56
XLogP2.1
Topological Polar Surface Area37.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count1
Heavy Atom Count10
Formal Charge0
Complexity136
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
2D structure of 2-Chlorobenzoic Acid
CAS: 118-91-2
CID: 8374
Formula: C7H5ClO2
MW: 156.56
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight156.56
XLogP32.1
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count1
Exact Mass155.9978071
Monoisotopic Mass155.9978071
Topological Polar Surface Area37.3 Ų
Heavy Atom Count10
Formal Charge0
Complexity136
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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