N-Nitrosochlordiazepoxide

N-(7-chloro-4-oxido-5-phenyl-3H-1,4-benzodiazepin-4-ium-2-yl)-N-methylnitrous amide

CAS: 51715-17-4

Molecular Formula	`C16H13ClN4O2`
Molecular Weight	328.75 g/mol
LogP	2.3
Topological Polar Surface Area	73.8 A2
Hydrogen Bond Donors	0
Hydrogen Bond Acceptors	4
Rotatable Bonds	2
Exact Mass	328.0727
Heavy Atoms	23
Complexity	516.0

Chemical Identifiers

CAS Number	51715-17-4
SMILES	`CN(C1=NC2=C(C=C(C=C2)Cl)C(=[N+](C1)[O-])C3=CC=CC=C3)N=O`
InChIKey	`VGNMVQBFGJATJZ-UHFFFAOYSA-N`

📖 Product Overview

N-Nitrosochlordiazepoxide (CAS: 51715-17-4) is a chemical compound with molecular formula C16H13ClN4O2 and molecular weight 328.75 g/mol. Its IUPAC systematic name is N-(7-chloro-4-oxido-5-phenyl-3H-1,4-benzodiazepin-4-ium-2-yl)-N-methylnitrous amide. LogP 2.3 Topological Polar Surface Area 73.8 A2 Hydrogen Bond Donors 0 Hydrogen Bond Acceptors 4 Rotatable Bonds 2 Exact Mass 328.0727 Heavy Atoms 23 Complexity 516.0 InChI Key: VGNMVQBFGJATJZ-UHFFFAOYSA-N. SMILES: CN(C1=NC2=C(C=C(C=C2)Cl)C(=[N+](C1)[O-])C3=CC=CC=C3)N=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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