AG008A2J

88312-64-5 | Methyl 2-amino-5-nitronicotinate

AG008A2J

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CAS Number	88312-64-5
Catalog Number	AG008A2J(AGN-PC-00KPBT)
Chemical Name	Methyl 2-amino-5-nitronicotinate
IUPAC Name	methyl 2-amino-5-nitropyridine-3-carboxylate
InChI	InChI=1S/C7H7N3O4/c1-14-7(11)5-2-4(10(12)13)3-9-6(5)8/h2-3H,1H3,(H2,8,9)
InChI Key	OUMPFIBIUJBCAH-UHFFFAOYSA-N
MDL Number	MFCD19441225
Molecular Formula	C7H7N3O4
Molecular Weight	197.1482
SMILES	O=C(OC)C1=C(N)N=CC([N+]([O-])=O)=C1
Synonyms	Methyl 2-amino-5-nitronicotinate, 88312-64-5, 2-Amino-5-nitro-nicotinic acid methyl ester, 2-amino-5-nitronicotinic acid methyl ester, METHYL 2-AMINO-5-NITROPYRIDINE-3-CARBOXYLATE, 2-amino-3-(methoxycarbonyl)-5-nitropyridine, SCHEMBL1680354, CTK3B4100, DTXSID30516907, OUMPFIBIUJBCAH-UHFFFAOYSA-N, BCP23417, ANW-46632, CM0102, MFCD19441225, ZINC71863911, AKOS015995172, RP25520, AK-54921, DS-14607, AJ-118812, TC-135377, CS-0042659, FT-0687607, ST24025215, W9053, Z-8526, 2-Amino-5-nitropyridine-3-carboxylic acid methyl ester, 3-Pyridinecarboxylic acid, 2-amino-5-nitro-, methyl ester, C7H7N3O4, Methyl2-amino-5-nitronicotinate,

Complexity	240
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	197.044g/mol
Formal Charge	0
Heavy Atom Count	14
Hydrogen Bond Acceptor Count	6
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	197.15g/mol
Monoisotopic Mass	197.044g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	111A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	0.7

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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