6-(4-bromophenyl)-2H-pyran-2-one

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Basic information

CAS: 58293-68-8
Standard SMILES: O=c1cccc(-c2ccc(Br)cc2)o1
InChIKey: RKQXNSHCHMGYPP-UHFFFAOYSA-N
Molecular formula: C11H7BrO2
Average molar mass: 251.08 g/mol
Monoisotopic mass: 249.96294

Names & identifiers

Preferred name: 6-(4-bromophenyl)-2H-pyran-2-one
IUPAC: 6-(4-bromophenyl)pyran-2-one

Names & synonyms

6-(4-bromophenyl)-2H-pyran-2-one58293-68-8DTXSID70353671RefChem:306602DTXCID203047342H-Pyran-2-one, 6-(4-bromophenyl)-ZINC193262MLS000104486CBMicro_004927ChemDiv2_000647Brc1ccc(cc1)c1cccc(=O)o1CHEMBL1336703

Show more names

6(4BROMOPHENYL)PYRAN2ONEHMS1370N09HMS2277K112HPYRAN2ONE6(4BROMOPHENYL)6(4BROMOPHENYL)2HPYRAN2ONESMSF0003290CCG-17637MFCD00228431

Database identifiers

CAS: 58293-68-8
PubChem CID: 747845
DTXSID: DTXSID70353671
ChEMBL: CHEMBL1336703

Properties

Computed structural properties

XLogP: 3.1
Topological polar surface area: 26.3 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 2
Rotatable bonds: 1
Heavy atoms: 14
Formal charge: 0
Complexity: 286

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Compound notes

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