8-Chloroisoquinoline hydrochloride

HCID 12371748

Notes Reactions

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Basic information

CAS: 61563-32-4
Standard SMILES: Cl.Clc1cccc2ccncc12
InChIKey: PKNPPVOQVYXIOP-UHFFFAOYSA-N
Molecular formula: C9H7Cl2N
Average molar mass: 200.06 g/mol
Monoisotopic mass: 198.9955546

Names & identifiers

Preferred name: 8-Chloroisoquinoline hydrochloride
IUPAC: 8-chloroisoquinoline;hydrochloride

Names & synonyms

8-chloroisoquinoline hydrochloride61563-32-48-chloroisoquinolinehydrochlorideSCHEMBL117392548-chloroisoquinoline;hydrochlorideDTXSID50494879PKNPPVOQVYXIOP-UHFFFAOYSA-N8-Chloroisoquinoline--hydrogen chloride (1/1)EN300-253621

Database identifiers

CAS: 61563-32-4
PubChem CID: 12371748
DTXSID: DTXSID50494879

Properties

Computed structural properties

Topological polar surface area: 12.9 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 1
Rotatable bonds: 0
Heavy atoms: 12
Formal charge: 0
Complexity: 138

Related reactions

2 records

New reaction record

HRID 461481As reactantuspto-grants-1977_12

HRID 1288455As reactantuspto-grants-1976_10

Compound notes

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