BRN 5133810

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

CAS: 77952-81-9

Molecular Formula	`C13H11ClN4O2S`
Molecular Weight	322.77 g/mol
LogP	3.4
Topological Polar Surface Area	113.0 A2
Hydrogen Bond Donors	0
Hydrogen Bond Acceptors	5
Rotatable Bonds	4
Exact Mass	322.0291
Heavy Atoms	21
Complexity	416.0

Chemical Identifiers

CAS Number	77952-81-9
SMILES	`CC1=NC(=C(N1CC2=CC=C(C=C2)Cl)SCC#N)[N+](=O)[O-]`
InChIKey	`HRWUEIYQEZMDBG-UHFFFAOYSA-N`

📖 Product Overview

BRN 5133810 (CAS: 77952-81-9) is a chemical compound with molecular formula C13H11ClN4O2S and molecular weight 322.77 g/mol. Its IUPAC systematic name is 2-[3-[(4-chlorophenyl)methyl]-2-methyl-5-nitroimidazol-4-yl]sulfanylacetonitrile. LogP 3.4 Topological Polar Surface Area 113.0 A2 Hydrogen Bond Donors 0 Hydrogen Bond Acceptors 5 Rotatable Bonds 4 Exact Mass 322.0291 Heavy Atoms 21 Complexity 416.0 InChI Key: HRWUEIYQEZMDBG-UHFFFAOYSA-N. SMILES: CC1=NC(=C(N1CC2=CC=C(C=C2)Cl)SCC#N)[N+](=O)[O-].

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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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Yes, we offer sample quantities for quality testing. Please submit an inquiry with your requirements and we will arrange samples accordingly.

What documentation do you provide with the product?

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

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