Basic information
- Standard SMILES
CC(C)(CC(=O)c1ccc(Br)cc1)C(=O)O- InChIKey
KRHOXMGEWXKCIB-UHFFFAOYSA-N- Molecular formula
- C12H13BrO3
- Average molar mass
- 285.13 g/mol
Names & identifiers
- Preferred name
- 4-(4-Bromophenyl)-2,2-dimethyl-4-oxo-butyric Acid
- IUPAC
- 4-(4-bromophenyl)-2,2-dimethyl-4-oxobutanoic acid
Names & synonyms
4-(4-Bromophenyl)-2,2-dimethyl-4-oxo-butyric Acid4-(4-bromophenyl)-2,2-dimethyl-4-oxobutanoic acid791593-72-1SCHEMBL180665KRHOXMGEWXKCIB-UHFFFAOYSA-NAKOS014633152DB-339710A1-00938
Database identifiers
- PubChem CID
- 21985757
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 54.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 278
Related reactions
11 records
Compound notes
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