ethyl 2-(2-methyl-4-nitroimidazol-1-yl)acetate

CAS: 13230-22-3

Molecular Formula	`C8H11N3O4`
Molecular Weight	213.19 g/mol
LogP	0.5
Topological Polar Surface Area	89.9 A2
Hydrogen Bond Donors	0
Hydrogen Bond Acceptors	5
Rotatable Bonds	4
Exact Mass	213.07495
Heavy Atoms	15
Complexity	253.0

Chemical Identifiers

CAS Number	13230-22-3
SMILES	`CCOC(=O)CN1C=C(N=C1C)[N+](=O)[O-]`
InChIKey	`XMPREPGUGSKZIE-UHFFFAOYSA-N`

📖 Product Overview

ethyl 2-(2-methyl-4-nitroimidazol-1-yl)acetate (CAS: 13230-22-3) is a chemical compound with molecular formula C8H11N3O4 and molecular weight 213.19 g/mol. Its IUPAC systematic name is ethyl 2-(2-methyl-4-nitroimidazol-1-yl)acetate. LogP 0.5 Topological Polar Surface Area 89.9 A2 Hydrogen Bond Donors 0 Hydrogen Bond Acceptors 5 Rotatable Bonds 4 Exact Mass 213.07495 Heavy Atoms 15 Complexity 253.0 InChI Key: XMPREPGUGSKZIE-UHFFFAOYSA-N. SMILES: CCOC(=O)CN1C=C(N=C1C)[N+](=O)[O-].

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