Basic information
- CAS
169280-04-0- Standard SMILES
CC(C)(Br)c1ccc(C(=O)CCCCl)cc1- InChIKey
JTAIENFANUOIAC-UHFFFAOYSA-N- Molecular formula
- C13H16BrClO
- Average molar mass
- 303.62 g/mol
- Monoisotopic mass
- 302.00730491
Names & identifiers
- Preferred name
- 1-Butanone, 1-[4-(1-bromo-1-methylethyl)phenyl]-4-chloro-
- IUPAC
- 1-[4-(2-bromopropan-2-yl)phenyl]-4-chlorobutan-1-one
Names & synonyms
1-(4-(1-bromo-1-methyl-ethyl)-phenyl)-4-chloro-butan-1-one1-[4-(1-Bromo-1-methyl-ethyl)-phenyl]-4-chloro-butan-1-one169280-04-01-Butanone, 1-[4-(1-bromo-1-methylethyl)phenyl]-4-chloro-SCHEMBL2918005DTXSID10435061JTAIENFANUOIAC-UHFFFAOYSA-N1-[4-(l-Bromo-1-methyl-ethyl)-phenyl]-4-chloro-butan-1-one1-[4-(2-BROMOPROPAN-2-YL)PHENYL]-4-CHLOROBUTAN-1-ONE1-[4-(1-bromo-1- methyl-ethyl)-phenyl]-4-chloro-butan-1-one1-[4-(1-bromo-1-methyl-ethyl)-phenyl] -4-chloro-butan-1-one
Database identifiers
- CAS
169280-04-0- PubChem CID
- 10063579
- DTXSID
DTXSID10435061
Properties
Computed structural properties
- XLogP
- 3.6
- Topological polar surface area
- 17.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 5
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 232
Related reactions
47 records
Compound notes
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