Basic information
- Standard SMILES
CC(C)(Cl)c1ccc(C(=O)CCCCl)cc1- InChIKey
HTYVGWHDFYCFDO-UHFFFAOYSA-N- Molecular formula
- C13H16Cl2O
- Average molar mass
- 259.17 g/mol
Names & identifiers
- Preferred name
- 1-[4-(1-Chloro-1-methyl-ethyl)-phenyl)-4-chloro-butan-1-one
- IUPAC
- 4-chloro-1-[4-(2-chloropropan-2-yl)phenyl]butan-1-one
Names & synonyms
1-[4-(1-chloro-1-methyl-ethyl)-phenyl)-4-chloro-butan-1-one1-[4-(1-chloro-1-methyl-ethyl)-phenyl]-4-chloro-butan-1-oneSCHEMBL2925517HTYVGWHDFYCFDO-UHFFFAOYSA-N1-[4-(l-chloro-1-methyl-ethyl)-phenyl]-4-chloro-butan-1-one
Database identifiers
- PubChem CID
- 23499862
Properties
Computed structural properties
- XLogP
- 3.5
- 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
- 230
Related reactions
27 records
Compound notes
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