1-(4-Chlorobutoxy)-3-(trifluoromethyl)-benzene
Basic information
- CAS
23468-01-1- Standard SMILES
FC(F)(F)c1cccc(OCCCCCl)c1- InChIKey
XBWIRLRTEYRPHM-UHFFFAOYSA-N- Molecular formula
- C11H12ClF3O
- Average molar mass
- 252.66 g/mol
- Monoisotopic mass
- 252.05287734
Names & identifiers
- Preferred name
- 1-(4-Chlorobutoxy)-3-(trifluoromethyl)-benzene
- IUPAC
- 1-(4-chlorobutoxy)-3-(trifluoromethyl)benzene
Names & synonyms
1-(4-chlorobutoxy)-3-(trifluoromethyl)-benzene23468-01-1SCHEMBL7199882DTXSID701251073AKOS0110216531-(4-chlorobutoxy)-3-(trifluoromethyl)benzene
Database identifiers
- CAS
23468-01-1- PubChem CID
- 12928641
- DTXSID
DTXSID701251073
Properties
Computed structural properties
- XLogP
- 4.2
- Topological polar surface area
- 9.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 196
Related reactions
3 records
Compound notes
Loading…