Benzonitrile, 5-chloro-2-(3,4-dichlorophenoxy)-
Basic information
- CAS
99902-89-3- Standard SMILES
N#Cc1cc(Cl)ccc1Oc1ccc(Cl)c(Cl)c1- InChIKey
XIJAMFINYREQMF-UHFFFAOYSA-N- Molecular formula
- C13H6Cl3NO
- Average molar mass
- 298.5 g/mol
- Monoisotopic mass
- 296.951497
Names & identifiers
- Preferred name
- Benzonitrile, 5-chloro-2-(3,4-dichlorophenoxy)-
- IUPAC
- 5-chloro-2-(3,4-dichlorophenoxy)benzonitrile
Names & synonyms
5-chloro-2-(3,4-dichlorophenoxy)benzonitrile99902-89-3Benzonitrile, 5-chloro-2-(3,4-dichlorophenoxy)-CHEMBL136435DTXSID50244331AKOS012820920
Database identifiers
- CAS
99902-89-3- PubChem CID
- 514871
- DTXSID
DTXSID50244331- ChEMBL
CHEMBL136435
Properties
Computed structural properties
- XLogP
- 5.1
- Topological polar surface area
- 33 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 329
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Compound notes
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