Completing data — usually done within a minute
Basic information
- CAS
43121-47-7- Standard SMILES
CC(C)(C)C(=O)C(Br)c1ccccc1- InChIKey
AQXYNOCATSFWSN-UHFFFAOYSA-N- Molecular formula
- C12H15BrO
- Average molar mass
- 255.15 g/mol
- Monoisotopic mass
- 254.0306272
Names & identifiers
- Preferred name
- 1-Bromo-3,3-dimethyl-1-phenylbutan-2-one
- IUPAC
- 1-bromo-3,3-dimethyl-1-phenylbutan-2-one
Names & synonyms
1-Bromo-3,3-dimethyl-1-phenylbutan-2-one43121-47-7DTXSID30541355RefChem:228428DTXCID40492142SCHEMBL8542329AQXYNOCATSFWSN-UHFFFAOYSA-N1-bromo-1-phenyl-3,3-dimethyl-butan-2-one
Database identifiers
- CAS
43121-47-7- PubChem CID
- 13458693
- DTXSID
DTXSID30541355
Properties
Computed structural propertiesFilling in
- XLogP
- 3.8
- Topological polar surface area
- 17.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 3
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 199
Related reactions
3 records
Compound notes
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