5-Chloro-2-(4-chloro-2-hydroxyphenoxy)benzonitrile
Basic information
- CAS
3489-20-1- Standard SMILES
N#Cc1cc(Cl)ccc1Oc1ccc(Cl)cc1O- InChIKey
CWZQUNPPCCCNSZ-UHFFFAOYSA-N- Molecular formula
- C13H7Cl2NO2
- Average molar mass
- 280.1 g/mol
- Monoisotopic mass
- 278.9853839
Names & identifiers
- Preferred name
- 5-Chloro-2-(4-chloro-2-hydroxyphenoxy)benzonitrile
- IUPAC
- 5-chloro-2-(4-chloro-2-hydroxyphenoxy)benzonitrile
Names & synonyms
SCHEMBL14157279DTXSID5012304895-chloro-2-(4-chloro-2-hydroxyphenoxy)benzonitrile3489-20-1
Database identifiers
- CAS
3489-20-1- PubChem CID
- 71089508
- DTXSID
DTXSID501230489
Properties
Computed structural properties
- XLogP
- 4.1
- Topological polar surface area
- 53.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 330
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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