AG00DLGA

53234-56-3 | 6-Chloro-5-cyanopicolinic acid

AG00DLGA

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CAS Number	53234-56-3
Catalog Number	AG00DLGA(AGN-PC-09T6KX)
Chemical Name	6-Chloro-5-cyanopicolinic acid
IUPAC Name	6-chloro-5-cyanopyridine-2-carboxylic acid
InChI	InChI=1S/C7H3ClN2O2/c8-6-4(3-9)1-2-5(10-6)7(11)12/h1-2H,(H,11,12)
InChI Key	ROPFRDWKBGCDEZ-UHFFFAOYSA-N
MDL Number	MFCD18258363
Molecular Formula	C7H3ClN2O2
Molecular Weight	182.5639
SMILES	ClC1=C(C=CC(=N1)C(=O)O)C#N
Synonyms	6-Chloro-5-cyanopicolinic acid, 53234-56-3, 6-CHLORO-5-CYANOPYRIDINE-2-CARBOXYLIC ACID, SCHEMBL1142900, KS-00000RAN, DTXSID90700628, ROPFRDWKBGCDEZ-UHFFFAOYSA-N, MFCD18258363, ZINC91301708, AKOS016012809, DS-5469, AK127173, QC-11093, AJ-129844, 2-Pyridinecarboxylic acid, 6-chloro-5-cyano-, A1-11521, 6-Chloro-5-cyanopicolinicacid,

Complexity	235
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	181.988g/mol
Formal Charge	0
Heavy Atom Count	12
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	182.563g/mol
Monoisotopic Mass	181.988g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	74A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.4

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

Certificate of Analysis

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