1-(3-Bromophenyl)pentane-2,4-dione

HCID 13201807

Notes Reactions

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Basic information

CAS: 82129-61-1
Standard SMILES: CC(=O)CC(=O)Cc1cccc(Br)c1
InChIKey: MTABIMKUEAPOHA-UHFFFAOYSA-N
Molecular formula: C11H11BrO2
Average molar mass: 255.11 g/mol
Monoisotopic mass: 253.99424

Names & identifiers

Preferred name: 1-(3-Bromophenyl)pentane-2,4-dione
IUPAC: 1-(3-bromophenyl)pentane-2,4-dione

Names & synonyms

1-(3-Bromophenyl)pentane-2,4-dione82129-61-1SCHEMBL11268668DTXSID50527035MTABIMKUEAPOHA-UHFFFAOYSA-NMFCD163295641-(3-bromophenyl)-2,4-pentanedioneSY452893

Database identifiers

CAS: 82129-61-1
PubChem CID: 13201807
DTXSID: DTXSID50527035

Properties

Computed structural properties

XLogP: 2.4
Topological polar surface area: 34.1 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 2
Rotatable bonds: 4
Heavy atoms: 14
Formal charge: 0
Complexity: 225

Related reactions

1 records

New reaction record

HRID 2058863As reactantuspto-grants-1982_03

Compound notes

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