Basic information
- CAS
23802-22-4- Standard SMILES
CC(C)(C)c1cc(Cl)c(O)c(Cc2ccc(Cl)cc2Cl)c1- InChIKey
AHKRQWUDNKETCA-UHFFFAOYSA-N- Molecular formula
- C17H17Cl3O
- Average molar mass
- 343.7 g/mol
- Monoisotopic mass
- 342.034498
Names & identifiers
- Preferred name
- o-Cresol, 4-tert-butyl-6-chloro-alpha-(2,4-dichlorophenyl)-
- IUPAC
- 4-tert-butyl-2-chloro-6-[(2,4-dichlorophenyl)methyl]phenol
Names & synonyms
23802-22-4o-Cresol, 4-tert-butyl-6-chloro-alpha-(2,4-dichlorophenyl)-2-(2',4'-Dichlorobenzyl)-6-chloro-4-t-butylphenol4-tert-Butyl-6-chloro-alpha-(2,4-dichlorophenyl)-o-cresolDTXSID10178502RefChem:366414DTXCID001009934-tert-butyl-2-chloro-6-[(2,4-dichlorophenyl)methyl]phenol
Database identifiers
- CAS
23802-22-4- PubChem CID
- 212014
- DTXSID
DTXSID10178502
Properties
Computed structural properties
- XLogP
- 7
- Topological polar surface area
- 20.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 3
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 341
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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