1-(1,1-Dichloro-2-(4-methylphenyl)ethyl)-4-methylbenzene
Basic information
- CAS
892150-19-5- Standard SMILES
Cc1ccc(CC(Cl)(Cl)c2ccc(C)cc2)cc1- InChIKey
LNEBBCFOSDSIKG-UHFFFAOYSA-N- Molecular formula
- C16H16Cl2
- Average molar mass
- 279.2 g/mol
- Monoisotopic mass
- 278.0629059
Names & identifiers
- Preferred name
- 1-(1,1-Dichloro-2-(4-methylphenyl)ethyl)-4-methylbenzene
- IUPAC
- 1-[1,1-dichloro-2-(4-methylphenyl)ethyl]-4-methylbenzene
- English name
- 1-(1,1-Dichloro-2-(4-methylphenyl)ethyl)-4-methylbenzene
- Molecular formula
- C16H16Cl2
- Molecular weight
- 279.2
Names & synonyms
AKOS0244062291-(1,1-DICHLORO-2-(4-METHYLPHENYL)ETHYL)-4-METHYLBENZENEBenzene, 1-[1,1-dichloro-2-(4-methylphenyl)ethyl]-4-methyl-
Database identifiers
- CAS
892150-19-5- PubChem CID
- 4123535
- EC Number
- 123-598-6
Properties
Computed structural properties
- XLogP
- 5.5
- Topological polar surface area
- 0 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 0
- Rotatable bonds
- 3
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 246
Physicochemical properties
- Boiling point
- 360.725 · 360.725±37.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 1.168 · 1.168±0.06 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
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Compound notes
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