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2-Chloronicotinic Acid

CAT: 0572-TRC-C370920-50GSize: 50 gDry Ice: NoHazardous: No
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CAT#:0572-TRC-C370920-50GSize:50 g
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
2942-59-8
Synonyms
2-Chloropyridine-3-carboxylic Acid; Flunixin Meglumine Imp. A (EP); Niflumic Acid Imp. A (EP); Flunixin USP Related Compound A; Flunixin USP RC A; 2-Chloropyridine-3-carboxylic Acid; 2-Chloronicotinic Acid; Flunixin Related Compound A; Flunixin Meglumine Impurity A; Niflumic Acid Impurity A; Flunixin Impurity A
Hazard Statement
Causes skin irritation
Purity
>95% (HPLC)
Smiles
OC(=O)c1cccnc1Cl
Molecular Formula
C6 H4 Cl N O2
Molecular Weight
157.55
InChI
InChI=1S/C6H4ClNO2/c7-5-4(6(9)10)2-1-3-8-5/h1-3H,(H,9,10)
Additionnal Information
IUPAC name: 2-chloropyridine-3-carboxylic acid
Shipping Conditions
Room Temperature
Storage Conditions
-20°C

Chemical Information

2-Chloronicotinic acid

2-Chloronicotinic acid is a member of pyridines and an aromatic carboxylic acid.

CAS Number2942-59-8
PubChem CID76258
IUPAC Name2-chloropyridine-3-carboxylic acid
Molecular FormulaC6H4ClNO2
Molecular Weight157.55
XLogP1.3
Topological Polar Surface Area50.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count1
Heavy Atom Count10
Formal Charge0
Complexity140
SMILES
C1=CC(=C(N=C1)Cl)C(=O)O
InChI
InChI=1S/C6H4ClNO2/c7-5-4(6(9)10)2-1-3-8-5/h1-3H,(H,9,10)
InChIKey
IBRSSZOHCGUTHI-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2-Chloronicotinic acid
CAS: 2942-59-8
CID: 76258
Formula: C6H4ClNO2
MW: 157.55
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight157.55
XLogP31.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count1
Exact Mass156.9930561
Monoisotopic Mass156.9930561
Topological Polar Surface Area50.2 Ų
Heavy Atom Count10
Formal Charge0
Complexity140
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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