AG007BJG

109012-23-9 | Ethyl 1-methyl-4-nitro-1H-imidazole-2-carboxylate

AG007BJG

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CAS Number	109012-23-9
Catalog Number	AG007BJG(AGN-PC-0KKMTR)
Chemical Name	Ethyl 1-methyl-4-nitro-1H-imidazole-2-carboxylate
IUPAC Name	ethyl 1-methyl-4-nitroimidazole-2-carboxylate
InChI	InChI=1S/C7H9N3O4/c1-3-14-7(11)6-8-5(10(12)13)4-9(6)2/h4H,3H2,1-2H3
InChI Key	QGTGFMLXIBQONB-UHFFFAOYSA-N
MDL Number	MFCD03789110
Molecular Formula	C7H9N3O4
Molecular Weight	199.1641
SMILES	C[N]1C=C(N=C1C(=O)OCC)[N+](=O)[O-]
Synonyms	109012-23-9, ethyl 1-methyl-4-nitroimidazole-2-carboxylate, ethyl 1-methyl-4-nitro-1H-imidazole-2-carboxylate, C7H9N3O4, 1-Methyl-4-nitroimidazole-2-carboxylic acid ethyl ester, AK-22184, 1H-Imidazole-2-carboxylicacid, 1-methyl-4-nitro-, ethyl ester, PubChem23738, AC1MBZ4Q, ACMC-1BSR3, SCHEMBL1594419, CTK4A6291, KS-00000HNK, DTXSID60374537, QGTGFMLXIBQONB-UHFFFAOYSA-N, ACN-P000771, ZINC2511034, ANW-50541, MFCD03789110, SBB092420, AKOS006277851, AB16105, CS-W001046, DS-0233, OR52509, RP25681, AJ-36533, BR-22184, SY030991, AB0034703, AX8159789, DB-059804, ST2412870, TR-002019, 4CH-008465, Ethyl 1-methyl4-nitroimidazole-2-carboxyiate, FT-0768172, X8899, ethyl 4-nitro-1-methylimidazole-2-carboxylate, MFCD03789110 (95%), S-2606, I14-4581, J-520550, 1-Methyl-4-nitro-1H-imidazole-2-carboxylic acid ethyl ester, 1H-Imidazole-2-carboxylicacid,1-methyl-4-nitro-,ethyl ester, 1H-IMIDAZOLE-2-CARBOXYLIC ACID, 1-METHYL-4-NITRO-, ETHYL ESTER, ZINC02511034, ACN-000771, CID2758876,

Complexity	240
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	199.059g/mol
Formal Charge	0
Heavy Atom Count	14
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	199.166g/mol
Monoisotopic Mass	199.059g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	89.9A^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-H315-H319-H332-H335
Packing Group
Precautionary statements	P261-P280-P305+P351+P338
UN Code

Certificate of Analysis

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