AG000W2K

13138-76-6 | 1H-Pyrrole-2-carboxylic acid, 1-methyl-4-nitro-, methyl ester

AG000W2K

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CAS Number	13138-76-6
Catalog Number	AG000W2K(AGN-PC-0KKNL2)
Chemical Name	1H-Pyrrole-2-carboxylic acid, 1-methyl-4-nitro-, methyl ester
IUPAC Name	methyl 1-methyl-4-nitropyrrole-2-carboxylate
InChI	InChI=1S/C7H8N2O4/c1-8-4-5(9(11)12)3-6(8)7(10)13-2/h3-4H,1-2H3
InChI Key	SEOKAHOXOYKYKS-UHFFFAOYSA-N
MDL Number	MFCD03789112
Molecular Formula	C7H8N2O4
Molecular Weight	184.1494
SMILES	COC(=O)C1=CC(=CN1C)[N+]([O-])=O
Synonyms	13138-76-6, methyl 1-methyl-4-nitro-1H-pyrrole-2-carboxylate, 1-methyl-4-nitropyrrole-2-carboxylic acid methyl ester, methyl-4-nitro-1-methyl pyrrole-2-carboxylate, methyl 1-methyl-4-nitropyrrole-2-carboxylate, 1-methyl-4-nitro-1h-pyrrole-2-carboxylic acid methyl ester, 1H-PYRROLE-2-CARBOXYLIC ACID, 1-METHYL-4-NITRO-, METHYL ESTER, AC1MC1J3, 1-methyl-4-nitropyrrole-2-carboxylicacidmethylester, SCHEMBL2388875, CTK8C4462, DTXSID00374970, SEOKAHOXOYKYKS-UHFFFAOYSA-N, ALBB-014670, ZINC2511035, 5814AA, ANW-72055, MFCD03789112, AKOS005174790, QC-4826, TRA0036965, VP60105, AJ-36534, AS-43123, SC-23800, DB-008962, TC-064468, FT-0684323, methyl N-methyl-4-nitro-2-pyrrolecarboxylate, ST24025133, methyl 4-nitro-1-methylpyrrole-2-carboxylate, Methyl-4-nitro-1-methylpyrrole-2-carboxylate, Methyl 4-Nitro-1-methyl pyrrole-2-carboxylate, 1-methyl-4-nitropyrrole-2-carboxylic acid methyl e, I11-0286, J-005987, 1H-Pyrrole-2-carboxylicacid,1-methyl-4-nitro-,methyl ester, Methyl 1-methyl-4-nitro-pyrrole-2-carboxylate, AldrichCPR, C7H8N2O4, ZINC02511035, CB10730, CID2759930, A2747, Methyl1-methyl-4-nitro-1H-pyrrole-2-carboxylate,

Complexity	225
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	184.048g/mol
Formal Charge	0
Heavy Atom Count	13
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	184.151g/mol
Monoisotopic Mass	184.048g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	77A^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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