2,5-Bis(trichloromethyl)benzonitrile
Basic information
- CAS
50343-90-3- Standard SMILES
N#Cc1cc(C(Cl)(Cl)Cl)ccc1C(Cl)(Cl)Cl- InChIKey
IRSLAKBEDALSPF-UHFFFAOYSA-N- Molecular formula
- C9H3Cl6N
- Average molar mass
- 337.8 g/mol
- Monoisotopic mass
- 334.839665
Names & identifiers
- Preferred name
- 2,5-Bis(trichloromethyl)benzonitrile
- IUPAC
- 2,5-bis(trichloromethyl)benzonitrile
Names & synonyms
2,5-bis(trichloromethyl)benzonitrile50343-90-3DTXSID20301788RefChem:247149DTXCID60252922NSC146406SCHEMBL118702642,5-bistrichloromethylbenzonitrileNSC-146406
Database identifiers
- CAS
50343-90-3- PubChem CID
- 287019
- DTXSID
DTXSID20301788
Properties
Computed structural properties
- XLogP
- 4.9
- Topological polar surface area
- 23.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 0
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 295
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Compound notes
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