5-Chloro-8-nitroisoquinoline structure

5-Chloro-8-nitroisoquinoline

5-chloro-8-nitroisoquinoline

Also Known As: 5-CHLORO-8-NITROISOQUINOLINE|5-chloro-8-nitro-isoquinoline|Isoquinoline, 5-chloro-8-nitro-|974-043-7

CAS: 58142-95-3
Molecular Formula C9H5ClN2O2
Molecular Weight 208.00395 g/mol
LogP 2.6
Topological Polar Surface Area 58.7 Ų
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 3
Rotatable Bonds 0
Exact Mass 208.00395
Monoisotopic Mass 208.00395
Heavy Atoms 14
Complexity 231.0

Chemical Identifiers

CAS Number 58142-95-3
SMILES C1=CC(=C2C=CN=CC2=C1[N+](=O)[O-])Cl
InChIKey ALVRETDOJATHCM-UHFFFAOYSA-N

Patent-Derived Application Labels

Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.

Agrochemicals (1 patents) Heterocyclic Building Blocks (12 patents)

Product Overview

5-Chloro-8-nitroisoquinoline (CAS 58142-95-3), with molecular formula C9H5ClN2O2 and molecular weight 208.00395 g/mol. IUPAC: 5-chloro-8-nitroisoquinoline.

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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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