AG00C7VO

3543-72-4 | 1H-​Benzimidazole-​2-​butanoic acid, 1-​methyl-​5-​nitro-​, ethyl ester

AG00C7VO

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CAS Number	3543-72-4
Catalog Number	AG00C7VO(AGN-PC-00KTPR)
Chemical Name	1H-​Benzimidazole-​2-​butanoic acid, 1-​methyl-​5-​nitro-​, ethyl ester
IUPAC Name	ethyl 4-(1-methyl-5-nitrobenzimidazol-2-yl)butanoate
InChI	InChI=1S/C14H17N3O4/c1-3-21-14(18)6-4-5-13-15-11-9-10(17(19)20)7-8-12(11)16(13)2/h7-9H,3-6H2,1-2H3
InChI Key	VJVBGSJZBDBEIF-UHFFFAOYSA-N
MDL Number	MFCD09840985
Molecular Formula	C14H17N3O4
Molecular Weight	291.3025
SMILES	Cn1c2c(nc1CCCC(=O)OCC)cc(cc2)N(=O)=O
Synonyms	3543-72-4, ethyl 4-(1-methyl-5-nitro-1H-benzo[d]imidazol-2-yl)butanoate, 1-Methyl-5-nitro-1H-benzimidazole-2-butanoic acid ethyl ester, ethyl 4-(1-methyl-5-nitro-1H-1,3-benzodiazol-2-yl)butanoate, SCHEMBL15436071, CTK8B4298, KS-00000OEO, DTXSID60517745, BCP05828, ZX-RL000704, ANW-44631, MFCD09840985, ZINC22063437, AKOS015898504, ACM3543724, ACN-029904, LS41057, SS-4584, AC-22357, AJ-80919, AK-67958, OR303209, AB0031651, AB1008555, AX8209033, DB-069208, TC-133376, 4CH-010129, AM20090669, FT-0672003, ST24030588, X4798, 543M724, A822802, I10-0421, ethyl 4-(1-methyl-5-nitrobenzimidazol-2-yl)butanoate, ethyl 4-(1-methyl-5-nitro-benzimidazol-2-yl)butanoate, 1-Methyl-5-nitro-2-benzimidazolebutyric Acid Ethyl Ester, Ethyl 4-(1-methyl-5-nitro-1H-benzimidazol-2-yl)butanoate, 4-(1-methyl-5-nitro-2-benzimidazolyl)butanoic acid ethyl ester, ethyl 4-(1-methyl-5-nitro-1Hbenzo[d]imidazol-2-yl)butanoate, 1H-Benzimidazole-2-butanoic acid, 1-methyl-5-nitro-, ethyl ester, null, VJVBGSJZBDBEIF-UHFFFAOYSA-N, C14H17N3O4, C129, Ethyl4-(1-methyl-5-nitro-1H-benzo[d]imidazol-2-yl)butanoate, 1-Methyl-5-nitro-1H-benzimidazole-2-butanoic acid ethyl ester; Ethyl 4-(1-methyl-5-nitro-1H-benzo[d]imidazol-2-yl)butanoate,

Complexity	385
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	291.122g/mol
Formal Charge	0
Heavy Atom Count	21
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	291.307g/mol
Monoisotopic Mass	291.122g/mol
Rotatable Bond Count	6
Topological Polar Surface Area	89.9A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.1

GHS Hazard and Precautionary Statements

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

Certificate of Analysis

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