Basic information
- CAS
87048-86-0- Standard SMILES
CC(=O)c1cc(OCCCCl)ccc1OCCCCl- InChIKey
VVWCZZSZHIVCFE-UHFFFAOYSA-N- Molecular formula
- C14H18Cl2O3
- Average molar mass
- 305.2 g/mol
- Monoisotopic mass
- 304.0632998
Names & identifiers
- Preferred name
- Ethanone, 1-(2,5-bis(3-chloropropoxy)phenyl)-
- IUPAC
- 1-[2,5-bis(3-chloropropoxy)phenyl]ethanone
Names & synonyms
2,5-Bis(3-chloropropoxy)acetophenoneBRN 4459447ETHANONE, 1-(2,5-BIS(3-CHLOROPROPOXY)PHENYL)-1-(2,5-Bis(3-chloropropoxy)phenyl)ethanone87048-86-0DTXSID20236086RefChem:341064DTXCID201585771-[2,5-Bis(3-chloropropoxy)phenyl]ethan-1-one
Database identifiers
- CAS
87048-86-0- PubChem CID
- 55593
- DTXSID
DTXSID20236086
Properties
Computed structural properties
- XLogP
- 3.4
- Topological polar surface area
- 35.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 9
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 261
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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