4-Chloroisoquinoline-5-sulfonyl chloride

HCID 22121908
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Basic information

CAS
194032-34-3
Standard SMILES
O=S(=O)(Cl)c1cccc2cncc(Cl)c12
InChIKey
IVRAWSOJSGNOIC-UHFFFAOYSA-N
Molecular formula
C9H5Cl2NO2S
Average molar mass
262.11 g/mol
Monoisotopic mass
260.94180476

Names & identifiers

Preferred name
4-Chloroisoquinoline-5-sulfonyl chloride
IUPAC
4-chloroisoquinoline-5-sulfonyl chloride

Names & synonyms

4-CHLOROISOQUINOLINE-5-SULFONYL CHLORIDE194032-34-3SCHEMBL2001999DTXSID50622615IVRAWSOJSGNOIC-UHFFFAOYSA-N4-chloro-5-chlorosulfonylisoquinoline4-chloro-5-isoquinolinesulfonyl chloride

Database identifiers

CAS
194032-34-3
PubChem CID
22121908
DTXSID
DTXSID50622615

Properties

Computed structural properties

XLogP
2.8
Topological polar surface area
55.4 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
3
Rotatable bonds
1
Heavy atoms
15

Related reactions

16 records
New reaction record

Compound notes

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