Basic information
- CAS
58631-66-6- Standard SMILES
O=C(CCCl)c1ccc(Cl)cc1Cl- InChIKey
DHHKPBCMQRWSHN-UHFFFAOYSA-N- Molecular formula
- C9H7Cl3O
- Average molar mass
- 237.5 g/mol
- Monoisotopic mass
- 235.956248
Names & identifiers
- Preferred name
- 3-Chloro-1-(2,4-dichlorophenyl)propan-1-one
- IUPAC
- 3-chloro-1-(2,4-dichlorophenyl)propan-1-one
Names & synonyms
58631-66-61-Propanone, 3-chloro-1-(2,4-dichlorophenyl)-3-Chloro-1-(2,4-dichlorophenyl)propan-1-one3-Chloro-1-(2,4-dichlorophenyl)-1-propanoneSCHEMBL11755601DTXSID70494836MFCD14533564SY395237
Database identifiers
- CAS
58631-66-6- PubChem CID
- 12371342
- DTXSID
DTXSID70494836
Properties
Computed structural properties
- XLogP
- 3.4
- Topological polar surface area
- 17.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 3
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 184
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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