Basic information
- CAS
920036-42-6- Standard SMILES
N#Cc1cc(Cl)cc(Oc2cc(O)cc(F)c2Cl)c1- InChIKey
KIXDEBZNJJHIPX-UHFFFAOYSA-N- Molecular formula
- C13H6Cl2FNO2
- Average molar mass
- 298.09 g/mol
- Monoisotopic mass
- 296.97596201
Names & identifiers
- Preferred name
- 3-Chloro-5-(2-chloro-3-fluoro-5-hydroxyphenoxy)benzonitrile
- IUPAC
- 3-chloro-5-(2-chloro-3-fluoro-5-hydroxyphenoxy)benzonitrile
Names & synonyms
3-chloro-5-(2-chloro-3-fluoro-5-hydroxyphenoxy)benzonitrile920036-42-6SCHEMBL3156165DTXSID90659309KIXDEBZNJJHIPX-UHFFFAOYSA-N
Database identifiers
- CAS
920036-42-6- PubChem CID
- 44550969
- DTXSID
DTXSID90659309
Properties
Computed structural properties
- XLogP
- 4.2
- Topological polar surface area
- 53.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 362
Related reactions
4 records
Compound notes
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