AC1LXC7V structure

AC1LXC7V

ethyl 2-[(2-chloro-5-nitrobenzoyl)amino]-4-(4-methylphenyl)thiophene-3-carboxylate

Also Known As: Oprea1_827359|AK-968/41925684|ethyl 2-[(2-chloro-5-nitrobenzoyl)amino]-4-(4-methylphenyl)thiophene-3-carboxylate|ethyl 2-({2-chloro-5-nitrobenzoyl}amino)-4-(4-methylphenyl)-3-thiophenecarboxylate|ethyl 2-[(2-chloro-5-nitrophenyl)carbonylamino]-4-(4-methylphenyl)thiophene-3- carboxylate|ethyl 2-{[(2-chloro-5-nitrophenyl)carbonyl]amino}-4-(4-methylphenyl)thiophene-3-carboxylate

CAS: 545440-91-3
Molecular Formula C21H17ClN2O5S
Molecular Weight 444.05466 g/mol
LogP 5.71412
Topological Polar Surface Area 98.54 Ų
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 6
Rotatable Bonds 6
Exact Mass 444.05466
Monoisotopic Mass 444.05466
Heavy Atoms 30
Complexity 1124.9254

Chemical Identifiers

CAS Number 545440-91-3
SMILES CCOC(=O)C1=C(SC=C1C2=CC=C(C=C2)C)NC(=O)C3=C(C=CC(=C3)[N+](=O)[O-])Cl

Product Overview

AC1LXC7V (CAS 545440-91-3), with molecular formula C21H17ClN2O5S and molecular weight 444.05466 g/mol. IUPAC: ethyl 2-[(2-chloro-5-nitrobenzoyl)amino]-4-(4-methylphenyl)thiophene-3-carboxylate.

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Safety Data Sheet (MSDS / SDS) View the Laboratory Chemical Safety Summary (LCSS) on PubChem — includes GHS classifications, hazard statements, first aid measures, and handling precautions.
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