AG007BDL

36131-46-1 | Ethyl 5-nitro-1H-pyrrole-2-carboxylate

AG007BDL

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CAS Number	36131-46-1
Catalog Number	AG007BDL(AGN-PC-0NHO83)
Chemical Name	Ethyl 5-nitro-1H-pyrrole-2-carboxylate
IUPAC Name	ethyl 5-nitro-1H-pyrrole-2-carboxylate
InChI	InChI=1S/C7H8N2O4/c1-2-13-7(10)5-3-4-6(8-5)9(11)12/h3-4,8H,2H2,1H3
InChI Key	CVUNOXYEWWXPCU-UHFFFAOYSA-N
MDL Number	MFCD09025771
Molecular Formula	C7H8N2O4
Molecular Weight	184.1494
SMILES	CCOC(=O)C1=CC=C(N1)[N+]([O-])=O
Synonyms	Ethyl 5-nitro-1H-pyrrole-2-carboxylate, 36131-46-1, 1H-Pyrrole-2-carboxylic acid, 5-nitro-, ethyl ester, MFCD09025771, PubChem17832, SCHEMBL9920457, CTK4H5936, DTXSID40476846, KS-00002A2I, ANW-56212, ZINC30678324, AKOS009513431, Ethyl5-nitro-1H-pyrrole-2-carboxylate, PS-3943, RP03345, 2-(Ethoxycarbonyl)-5-nitro-1H-pyrrole, AJ-84049, DB-069319, TR-039447, CS-0061578, FT-0685571, Y8863, A21786, C-1964, J-521151, F9995-4276, C7H8N2O4, ethyl 5-nitro-1H-pyrrole-2-carboxylate, 95% - 1G 1g,

Complexity	213
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	1
Isotope Atom Count	0
Molecular Weight	184.151g/mol
Monoisotopic Mass	184.048g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	87.9A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.4

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H335
Packing Group
Precautionary statements	P261-P280-P301+P312-P302+P352-P305+P351+P338
UN Code

Certificate of Analysis

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