3-Bromo-8-nitro-4-quinolinol

HCID 12376861

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Basic information

CAS: 65674-05-7
Standard SMILES: O=c1c(Br)c[nH]c2c([N+](=O)[O-])cccc12
InChIKey: WPBBYMIFQRSHRX-UHFFFAOYSA-N
Molecular formula: C9H5BrN2O3
Average molar mass: 269.05 g/mol
Monoisotopic mass: 267.94835

Names & identifiers

Preferred name: 3-Bromo-8-nitro-4-quinolinol
IUPAC: 3-bromo-8-nitro-1H-quinolin-4-one

Names & synonyms

3-Bromo-8-nitro-4-quinolinol65674-05-7RefChem:2776873-bromo-1,4-dihydro-8-nitro-4-oxoquinoline3-Bromo-8-nitroquinolin-4-olSCHEMBL6538035WPBBYMIFQRSHRX-UHFFFAOYSA-NDTXSID601309516

Database identifiers

CAS: 65674-05-7
PubChem CID: 12376861
DTXSID: DTXSID601309516

Properties

Computed structural properties

XLogP: 2.3
Topological polar surface area: 74.9 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 4
Rotatable bonds: 0
Heavy atoms: 15
Formal charge: 0
Complexity: 337

Related reactions

1 records

New reaction record

HRID 613457As productuspto-grants-1999_12

Compound notes

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