2-Bromo-1-(3,4-dihydroxy-5-nitro-phenyl)-ethanone

HCID 21845596
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Basic information

Standard SMILES
O=C(CBr)c1cc(O)c(O)c([N+](=O)[O-])c1
InChIKey
GANOKOPJCWEJLV-UHFFFAOYSA-N
Molecular formula
C8H6BrNO5
Average molar mass
276.04 g/mol

Names & identifiers

Preferred name
2-Bromo-1-(3,4-dihydroxy-5-nitro-phenyl)-ethanone
IUPAC
2-bromo-1-(3,4-dihydroxy-5-nitrophenyl)ethanone

Names & synonyms

2-bromo-1-(3,4-dihydroxy-5-nitrophenyl)ethanone2-bromo-1-(3,4-dihydroxy-5-nitro-phenyl)-ethanoneSCHEMBL7247935GANOKOPJCWEJLV-UHFFFAOYSA-N2-bromo-3',4'-dihydroxy-5'-nitroacetophenone

Database identifiers

PubChem CID
21845596

Properties

Computed structural properties

XLogP
2.1
Topological polar surface area
103 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
5
Rotatable bonds
2
Heavy atoms
15

Related reactions

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Compound notes

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