5-Bromo-1-chloro-6-hydroxyisoquinoline

HCID 136337488
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Basic information

Standard SMILES
Oc1ccc2c(Cl)nccc2c1Br
InChIKey
HHIIZNMTZLHEGT-UHFFFAOYSA-N
Molecular formula
C9H5BrClNO
Average molar mass
258.5 g/mol

Names & identifiers

Preferred name
5-Bromo-1-chloro-6-hydroxyisoquinoline
IUPAC
5-bromo-1-chloroisoquinolin-6-ol

Names & synonyms

SCHEMBL4005339HHIIZNMTZLHEGT-UHFFFAOYSA-N5-bromo-1-chloro-6-hydroxyisoquinoline

Database identifiers

PubChem CID
136337488

Properties

Computed structural properties

XLogP
3.4
Topological polar surface area
33.1 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
2
Rotatable bonds
0
Heavy atoms
13

Related reactions

3 records
New reaction record

Compound notes

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