3',5'-Dichloro-3-(2,5-dimethylphenyl)propiophenone
Basic information
- CAS
898754-04-6- Standard SMILES
Cc1ccc(C)c(CCC(=O)c2cc(Cl)cc(Cl)c2)c1- InChIKey
RTBGKCYCUGKWAJ-UHFFFAOYSA-N- Molecular formula
- C17H16Cl2O
- Average molar mass
- 307.2 g/mol
- Monoisotopic mass
- 306.0578205
Names & identifiers
- Preferred name
- 3',5'-Dichloro-3-(2,5-dimethylphenyl)propiophenone
- IUPAC
- 1-(3,5-dichlorophenyl)-3-(2,5-dimethylphenyl)propan-1-one
- English name
- 3',5'-DICHLORO-3-(2,5-DIMETHYLPHENYL)PROPIOPHENONE
- Molecular formula
- C17H16Cl2O
- Molecular weight
- 307.21
Names & synonyms
898754-04-63',5'-DICHLORO-3-(2,5-DIMETHYLPHENYL)PROPIOPHENONE1-(3,5-dichlorophenyl)-3-(2,5-dimethylphenyl)propan-1-oneMFCD03843754DTXSID30644759AKOS0160222763,5-Dichloro-3-(2,5-dimethylphenyl)propiophenoneF2065081-Propanone, 1-(3,5-dichlorophenyl)-3-(2,5-dimethylphenyl)-
Database identifiers
- CAS
898754-04-6- PubChem CID
- 24726366
- DTXSID
DTXSID30644759
Properties
Computed structural properties
- XLogP
- 5.5
- Topological polar surface area
- 17.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 4
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 321
Physicochemical properties
- Boiling point
- 444.9 · 444.9±45.0 °C(Predicted)
- Density
- 1.206 · 1.206±0.06 g/cm3(Predicted)
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Compound notes
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