6-Bromo-7-chloro-isoquinoline 2-oxide

HCID 59226262
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Basic information

CAS
1036712-55-6
Standard SMILES
[O-][n+]1ccc2cc(Br)c(Cl)cc2c1
InChIKey
YBOSZRTYHKSTRI-UHFFFAOYSA-N
Molecular formula
C9H5BrClNO
Average molar mass
258.5 g/mol
Monoisotopic mass
256.9243

Names & identifiers

Preferred name
6-Bromo-7-chloro-isoquinoline 2-oxide
IUPAC
6-bromo-7-chloro-2-oxidoisoquinolin-2-ium

Names & synonyms

6-Bromo-7-chloro-isoquinoline 2-oxideSCHEMBL1571549YBOSZRTYHKSTRI-UHFFFAOYSA-N6-Bromo-7-chloro-isoquinoline-2-oxide

Database identifiers

CAS
1036712-55-6
PubChem CID
59226262
DTXSID
DTXSID401277248

Properties

Computed structural propertiesFilling in

XLogP
2.4
Topological polar surface area
25.5 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
1
Rotatable bonds
0
Heavy atoms
13

Related reactions

2 records
New reaction record

Compound notes

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