Basic information
- CAS
20994-29-0- Standard SMILES
ClCCCOc1ccc(-c2ccc(OCCCCl)cc2)cc1- InChIKey
WXTGWSYSOFYQNW-UHFFFAOYSA-N- Molecular formula
- C18H20Cl2O2
- Average molar mass
- 339.3 g/mol
- Monoisotopic mass
- 338.0840353
Names & identifiers
- Preferred name
- 4,4'-Bis(3-chloropropoxy)biphenyl
- IUPAC
- 1-(3-chloropropoxy)-4-[4-(3-chloropropoxy)phenyl]benzene
Names & synonyms
7NYF45UBL6SCHEMBL110968254,4'-Bis(3-chloropropoxy)biphenyl4,4'-Bis(3-chloropropoxy)-1,1'-biphenyl1,1'-Biphenyl, 4,4'-bis(3-chloropropoxy)-BIPHENYL, 4,4'-BIS(3-CHLOROPROPOXY)-20994-29-0
Database identifiers
- CAS
20994-29-0- PubChem CID
- 20523967
- UNII
- 7NYF45UBL6
Properties
Computed structural properties
- XLogP
- 5.4
- Topological polar surface area
- 18.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 9
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 244
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…