Basic information
- Standard SMILES
CC(C)(c1cc(Cl)c(O)c(Cl)c1)c1cc(Cl)c(OC#N)c(Cl)c1- InChIKey
APJNDWVSCUTHHT-UHFFFAOYSA-N- Molecular formula
- C16H11Cl4NO2
- Average molar mass
- 391.1 g/mol
Names & identifiers
- Preferred name
- 2-(3,5-Dichloro-4-hydroxyphenyl)-2-(3,5-dichloro-4-cyanatophenyl)-propane
- IUPAC
- [2,6-dichloro-4-[2-(3,5-dichloro-4-hydroxyphenyl)propan-2-yl]phenyl] cyanate
Names & synonyms
SCHEMBL11706022APJNDWVSCUTHHT-UHFFFAOYSA-N2-(3,5-dichloro-4-hydroxyphenyl)-2-(3,5-dichloro-4-cyanatophenyl)-propane
Database identifiers
- PubChem CID
- 21395859
Properties
Computed structural properties
- XLogP
- 6.9
- Topological polar surface area
- 53.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 442
Related reactions
2 records
Linked notes
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