1-(4'-Chlorophenyl)-2-bromo-4,4-dimethylpentan-3-one

HCID 12940693
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Basic information

Standard SMILES
CC(C)(C)C(=O)C(Br)Cc1ccc(Cl)cc1
InChIKey
HWTDDCKHYPUYMI-UHFFFAOYSA-N
Molecular formula
C13H16BrClO
Average molar mass
303.62 g/mol
Monoisotopic mass
302.00731

Names & identifiers

Preferred name
1-(4'-Chlorophenyl)-2-bromo-4,4-dimethylpentan-3-one
IUPAC
2-bromo-1-(4-chlorophenyl)-4,4-dimethylpentan-3-one

Names & synonyms

SCHEMBL11165041HWTDDCKHYPUYMI-UHFFFAOYSA-NAKOS0116803631-(4'-chlorophenyl)-2-bromo-4,4-dimethylpentan-3-one

Database identifiers

PubChem CID
12940693

Properties

Computed structural properties

XLogP
4.8
Topological polar surface area
17.1 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
1
Rotatable bonds
4
Heavy atoms
16

Related reactions

1 records
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Compound notes

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