AG000W2N

13138-73-3 | 1H-Pyrrole-2-carboxylic acid, 5-nitro-, methyl ester

AG000W2N

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CAS Number	13138-73-3
Catalog Number	AG000W2N(AGN-PC-040L2M)
Chemical Name	1H-Pyrrole-2-carboxylic acid, 5-nitro-, methyl ester
IUPAC Name	methyl 5-nitro-1H-pyrrole-2-carboxylate
InChI	InChI=1S/C6H6N2O4/c1-12-6(9)4-2-3-5(7-4)8(10)11/h2-3,7H,1H3
InChI Key	ROJHSLVRAQKAKW-UHFFFAOYSA-N
MDL Number	MFCD09743413
Molecular Formula	C6H6N2O4
Molecular Weight	170.1228
SMILES	O=C(C1=CC=C([N+]([O-])=O)N1)OC
Synonyms	Methyl 5-nitro-1H-pyrrole-2-carboxylate, 13138-73-3, 1H-Pyrrole-2-carboxylic acid, 5-nitro-, methyl ester, SCHEMBL8102402, DTXSID00632426, ROJHSLVRAQKAKW-UHFFFAOYSA-N, Methyl-5-nitropyrrol-2-carboxylat, methyl 5-nitro-2-pyrrolecarboxylate, EBD261353, MFCD09743413, ZINC15446280, methyl 5-nitro-2-pyrrolecarboxylate;, AKOS009513281, AKOS015898317, 2-(Methoxycarbonyl)-5-nitro-1H-pyrrole, 5-Nitropyrrol-2-carbonsaeuremethylester;, AJ-67617, methyl 5-nitro-1H-pyrrole-2-carboxylate;, 5-Nitro-pyrrol-2-carbonsaeure-methylester;, 5-Nitro-pyrrol-carbonsaeure-2-methylester;, CS-0061849, FT-0759691, 5-nitro-pyrrole-2-carboxylic acid methyl ester;, 5-Nitro-1H-pyrrole-2-carboxylic acid methyl ester, I11-0465,

Complexity	200
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	170.033g/mol
Formal Charge	0
Heavy Atom Count	12
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	170.124g/mol
Monoisotopic Mass	170.033g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	87.9A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.1

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H315-H319
Packing Group
Precautionary statements	P264-P280-P302+P352-P305+P351+P338-P332+P313-P337+P313-P362
UN Code

Certificate of Analysis

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