Basic information
- CAS
90920-21-1- Standard SMILES
Cc1ccc(O)cc1C(C)C(Cl)(Cl)Cl- InChIKey
NKVOURTUAQAVCH-UHFFFAOYSA-N- Molecular formula
- C10H11Cl3O
- Average molar mass
- 253.5 g/mol
- Monoisotopic mass
- 251.987548
Names & identifiers
- Preferred name
- 4-Methyl-3-(1,1,1-trichloropropan-2-yl)phenol
- IUPAC
- 4-methyl-3-(1,1,1-trichloropropan-2-yl)phenol
Names & synonyms
90920-21-14-methyl-3-(1,1,1-trichloropropan-2-yl)phenolNSC97607DTXSID40294663NSC-97607
Database identifiers
- CAS
90920-21-1- PubChem CID
- 263222
- DTXSID
DTXSID40294663
Properties
Computed structural properties
- XLogP
- 4.4
- Topological polar surface area
- 20.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 1
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 190
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…