2-Chloro-4-(1-phenylethoxy)benzonitrile
Basic information
- CAS
188527-66-4- Standard SMILES
CC(Oc1ccc(C#N)c(Cl)c1)c1ccccc1- InChIKey
BDBHVUMDBSMMKO-UHFFFAOYSA-N- Molecular formula
- C15H12ClNO
- Average molar mass
- 257.71 g/mol
- Monoisotopic mass
- 257.0607417
Names & identifiers
- Preferred name
- 2-Chloro-4-(1-phenylethoxy)benzonitrile
- IUPAC
- 2-chloro-4-(1-phenylethoxy)benzonitrile
Names & synonyms
2-Chloro-4-(1-phenylethoxy)benzonitrile188527-66-4Benzonitrile, 2-chloro-4-(1-phenylethoxy)-SCHEMBL4192800DTXSID80591188AKOS006165971
Database identifiers
- CAS
188527-66-4- PubChem CID
- 17835973
- DTXSID
DTXSID80591188- Nikkaji
- J846.426J
Properties
Computed structural properties
- XLogP
- 4.1
- Topological polar surface area
- 33 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 305
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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