AG00C3VJ

215306-02-8 | 2-Chloropyridine-3,4-dicarboxylic acid

AG00C3VJ

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CAS Number	215306-02-8
Catalog Number	AG00C3VJ(AGN-PC-0KKOVQ)
Chemical Name	2-Chloropyridine-3,4-dicarboxylic acid
IUPAC Name	2-chloropyridine-3,4-dicarboxylic acid
InChI	InChI=1S/C7H4ClNO4/c8-5-4(7(12)13)3(6(10)11)1-2-9-5/h1-2H,(H,10,11)(H,12,13)
InChI Key	IFFHNAPSEFZPIR-UHFFFAOYSA-N
MDL Number	MFCD01318441
Molecular Formula	C7H4ClNO4
Molecular Weight	201.5640
SMILES	O=C(C1=C(C(O)=O)C=CN=C1Cl)O
Synonyms	2-chloropyridine-3,4-dicarboxylic Acid, 215306-02-8, AK-34104, AC1MC6XZ, SCHEMBL1245016, CTK1A0093, DTXSID50376262, ZINC2244263, MFCD01318441, AKOS015891676, FCH1332587, PB33938, KS-00000N01, 3,4-Pyridinedicarboxylicacid, 2-chloro-, ACM215306028, AJ-34458, DS-12236, 2-chloranylpyridine-3,4-dicarboxylic acid, AB0065178, AX8073947, DB-081058, ST2416819, 4CH-015137, CS-0054838, FT-0611711, Z4411, Q-2821, A815452, I02-0876, C7H4ClNO4, CID2762495, 2-CHLOROPYRIDINE-3,4-DICARBOXYLICACID,

Complexity	233
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	200.983g/mol
Formal Charge	0
Heavy Atom Count	13
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	201.562g/mol
Monoisotopic Mass	200.983g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	87.5A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	0.9

GHS Hazard and Precautionary Statements

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

Certificate of Analysis

Lot Number