3-(4-Methylphenyl)adamantane-1-carbonyl chloride
Basic information
- CAS
69751-96-8- Standard SMILES
Cc1ccc(C23CC4CC(CC(C(=O)Cl)(C4)C2)C3)cc1- InChIKey
MNABCVMFIMIZNH-UHFFFAOYSA-N- Molecular formula
- C18H21ClO
- Average molar mass
- 288.8 g/mol
Names & identifiers
- Preferred name
- 3-(4-Methylphenyl)adamantane-1-carbonyl chloride
- IUPAC
- 3-(4-methylphenyl)adamantane-1-carbonyl chloride
- English name
- 3-p-Tolyl-adamantane-1-carbonyl chloride
- Molecular formula
- C18H21ClO
- Molecular weight
- 288.81
Names & synonyms
3-p-Tolyl-adamantane-1-carbonyl chloride
Database identifiers
- CAS
69751-96-8
Properties
Computed structural properties
- XLogP
- 5.2
- Topological polar surface area
- 17.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 2
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 407
Physicochemical properties
- Boiling point
- 383.725 · 383.725±21.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 1.226 · 1.226±0.06 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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