AG002LKG

229343-13-9 | 2-Pyridinecarboxylic acid, 3-nitro-, ethyl ester

AG002LKG

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CAS Number	229343-13-9
Catalog Number	AG002LKG(AGN-PC-01V72L)
Chemical Name	2-Pyridinecarboxylic acid, 3-nitro-, ethyl ester
IUPAC Name	ethyl 3-nitropyridine-2-carboxylate
InChI	InChI=1S/C8H8N2O4/c1-2-14-8(11)7-6(10(12)13)4-3-5-9-7/h3-5H,2H2,1H3
InChI Key	IBHCPBWFCRFRTR-UHFFFAOYSA-N
MDL Number	MFCD16621695
Molecular Formula	C8H8N2O4
Molecular Weight	196.1601
SMILES	CCOC(=O)C1=NC=CC=C1[N+]([O-])=O
Synonyms	ethyl 3-nitropyridine-2-carboxylate, 229343-13-9, ethyl 3-nitropicolinate, SCHEMBL6597210, 2-ethoxycarbonyl-3-nitropyridine, KS-00000BLG, DTXSID90593259, IBHCPBWFCRFRTR-UHFFFAOYSA-N, Ethyl3-Nitropyridine-2-carboxylate, 6743AJ, MFCD16621695, ZINC90470966, AKOS022183967, QC-6596, TRA0052620, AS-32206, CJ-22579, SY014816, AB0056156, AJ-128797, AX8268751, DB-023607, TC-308252, FT-0727203, 3-nitro-2-Pyridinecarboxylic acid ethyl ester, K-6356, MFCD16621695 (97+%), 2-Pyridinecarboxylic acid, 3-nitro-, ethyl ester, C8H8N2O4, 68399-77-9, 351210-09-8,

Complexity	226
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	196.048g/mol
Formal Charge	0
Heavy Atom Count	14
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	196.162g/mol
Monoisotopic Mass	196.048g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	85A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.2

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302
Packing Group
Precautionary statements	P280-P305+P351+P338
UN Code

Certificate of Analysis

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