2-Bromo-1-(3,5-dibromo-4-hydroxyphenyl)ethanone

HCID 3784424

Notes Reactions

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Basic information

Standard SMILES: O=C(CBr)c1cc(Br)c(O)c(Br)c1
InChIKey: QJYHZXHBVVDNQF-UHFFFAOYSA-N
Molecular formula: C8H5Br3O2
Average molar mass: 372.84 g/mol

Names & identifiers

Preferred name: 2-Bromo-1-(3,5-dibromo-4-hydroxyphenyl)ethanone
IUPAC: 2-bromo-1-(3,5-dibromo-4-hydroxyphenyl)ethanone

Names & synonyms

2-bromo-1-(3,5-dibromo-4-hydroxyphenyl)ethanone2-bromo-1-(3,5-dibromo-4-hydroxy-phenyl)-ethanone2-bromo-1-(3,5-dibromo-4-hydroxy-phenyl)ethanone34969-79-4SCHEMBL1191123QJYHZXHBVVDNQF-UHFFFAOYSA-NDB-163844

Database identifiers

PubChem CID: 3784424

Properties

Computed structural properties

XLogP: 3.4
Topological polar surface area: 37.3 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 2
Rotatable bonds: 2
Heavy atoms: 13
Formal charge: 0
Complexity: 186

Related reactions

5 records

New reaction record

HRID 166664As reactantTraining data from https://doi.org/10.1039/C8SC04228D (9/10)

HRID 678918As reactantTraining data from https://doi.org/10.1039/C8SC04228D (3/10)

HRID 1943709As productuspto-grants-2013_03

HRID 1943710As reactantuspto-grants-2013_03

HRID 1943716As reactantuspto-grants-2013_03

Compound notes

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