BRN 5123573

2-[3-[(4-chlorophenyl)methyl]-5-nitroimidazol-4-yl]sulfanylacetamide

CAS: 77952-73-9

Molecular Formula	`C12H11ClN4O3S`
Molecular Weight	326.76 g/mol
LogP	2.2
Topological Polar Surface Area	132.0 A2
Hydrogen Bond Donors	1
Hydrogen Bond Acceptors	5
Rotatable Bonds	5
Exact Mass	326.02405
Heavy Atoms	21
Complexity	387.0

Chemical Identifiers

CAS Number	77952-73-9
SMILES	`C1=CC(=CC=C1CN2C=NC(=C2SCC(=O)N)[N+](=O)[O-])Cl`
InChIKey	`DJPAQKJHLOTSDH-UHFFFAOYSA-N`

📖 Product Overview

BRN 5123573 (CAS: 77952-73-9) is a chemical compound with molecular formula C12H11ClN4O3S and molecular weight 326.76 g/mol. Its IUPAC systematic name is 2-[3-[(4-chlorophenyl)methyl]-5-nitroimidazol-4-yl]sulfanylacetamide. LogP 2.2 Topological Polar Surface Area 132.0 A2 Hydrogen Bond Donors 1 Hydrogen Bond Acceptors 5 Rotatable Bonds 5 Exact Mass 326.02405 Heavy Atoms 21 Complexity 387.0 InChI Key: DJPAQKJHLOTSDH-UHFFFAOYSA-N. SMILES: C1=CC(=CC=C1CN2C=NC(=C2SCC(=O)N)[N+](=O)[O-])Cl.

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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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We provide COA (Certificate of Analysis), MSDS (Material Safety Data Sheet), and technical data sheets with each shipment.

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