2-(5-nitro-1H-indol-3-yl)acetonitrile structure

2-(5-nitro-1H-indol-3-yl)acetonitrile

2-(5-nitro-1H-indol-3-yl)acetonitrile

Also Known As: 2-(5-nitro-1H-indol-3-yl)acetonitrile|5-Nitroindole-3-acetonitrile|5-Nitro-3-indolylacetonitrile|5-Nitro-3-indolyacetonitrile|5-Nitro-3-indolacetonitrile|NCIOpen2_002586|5-Nitro-1H-indole-3-acetonitrile|(5-Nitro-1H-indol-3-yl)acetonitrile|1H-Indole-3-acetonitrile,5-nitro-|1h-indole-3-acetonitrile, 5-nitro-|CN-202|4-Amino-2-nitro-4-sulfodiphenylamine|(5-nitro-1H-indol-3-yl)-acetonitrile|2-(4-chloro-3,5-dimethylphenoxy)acetonitrile|139N852|(5-Nitro-1H-indol-3-yl)acetonitrile; NSC 63021;

CAS: 73139-85-2
Molecular Formula C10H7N3O2
Molecular Weight 201.05383 g/mol
LogP 1.5
Topological Polar Surface Area 85.4 Ų
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 3
Rotatable Bonds 1
Exact Mass 201.05383
Monoisotopic Mass 201.05383
Heavy Atoms 15
Complexity 304.0

Chemical Identifiers

CAS Number 73139-85-2
SMILES C1=CC2=C(C=C1[N+](=O)[O-])C(=CN2)CC#N
InChIKey BAYBZUUQTBZGPJ-UHFFFAOYSA-N

Patent-Derived Application Labels

Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.

Heterocyclic Building Blocks (37 patents) Organic Building Blocks (9 patents) Pharmaceutical Intermediates (24 patents)

Product Overview

2-(5-nitro-1H-indol-3-yl)acetonitrile (CAS 73139-85-2), with molecular formula C10H7N3O2 and molecular weight 201.05383 g/mol. IUPAC: 2-(5-nitro-1H-indol-3-yl)acetonitrile.

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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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