Basic information
- CAS
87048-85-9- Standard SMILES
CC(=O)c1ccc(OCCCCl)cc1OCCCCl- InChIKey
YSAZXNDPAORVNB-UHFFFAOYSA-N- Molecular formula
- C14H18Cl2O3
- Average molar mass
- 305.2 g/mol
- Monoisotopic mass
- 304.0632998
Names & identifiers
- Preferred name
- Ethanone, 1-(2,4-bis(3-chloropropoxy)phenyl)-
- IUPAC
- 1-[2,4-bis(3-chloropropoxy)phenyl]ethanone
Names & synonyms
2,4-Bis(3-chloropropoxy)acetophenoneBRN 445948287048-85-9ETHANONE, 1-(2,4-BIS(3-CHLOROPROPOXY)PHENYL)-1-(2,4-Bis(3-chloropropoxy)phenyl)ethanoneDTXSID60236085RefChem:341034DTXCID601585761-[2,4-Bis(3-chloropropoxy)phenyl]ethan-1-one
Database identifiers
- CAS
87048-85-9- PubChem CID
- 55592
- DTXSID
DTXSID60236085
Properties
Computed structural properties
- XLogP
- 3.7
- 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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