5-Bromo-[1,1'-biphenyl]-2-carbaldehyde

HCID 54197319

Notes Reactions

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Basic information

Standard SMILES: O=Cc1ccc(Br)cc1-c1ccccc1
InChIKey: YATFQTXYLQWFIM-UHFFFAOYSA-N
Molecular formula: C13H9BrO
Average molar mass: 261.11 g/mol

Names & identifiers

Preferred name: 5-Bromo-[1,1'-biphenyl]-2-carbaldehyde
IUPAC: 4-bromo-2-phenylbenzaldehyde

Names & synonyms

5-bromo-[1,1'-biphenyl]-2-carbaldehyde1675969-69-3SCHEMBL6628582SCHEMBL165551785-Bromobiphenyl-2-carboxaldehydeYATFQTXYLQWFIM-UHFFFAOYSA-NMFCD28061558DB-207006E98008

Database identifiers

PubChem CID: 54197319

Properties

Computed structural properties

XLogP: 4.1
Topological polar surface area: 17.1 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 1
Rotatable bonds: 2
Heavy atoms: 15
Formal charge: 0
Complexity: 211

Related reactions

2 records

New reaction record

HRID 1499125As productuspto-grants-2015_12

HRID 1499126As reactantuspto-grants-2015_12

Compound notes

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