Basic information
- Standard SMILES
N#Cc1nn(-c2c(Cl)cc(C(F)(F)F)cc2Cl)cc1C1C=CCCCC1- InChIKey
FVVRJEHKDSBHKK-UHFFFAOYSA-N- Molecular formula
- C18H14Cl2F3N3
- Average molar mass
- 400.2 g/mol
- Monoisotopic mass
- 399.0516873
Names & identifiers
- Preferred name
- 3-Cyano-4-(cyclohept-2-enyl)-1-(2,6-dichloro-4-trifluoromethylphenyl)-pyrazole
- IUPAC
- 4-cyclohept-2-en-1-yl-1-[2,6-dichloro-4-(trifluoromethyl)phenyl]pyrazole-3-carbonitrile
Names & synonyms
3-Cyano-4-(cyclohept-2-enyl)-1-(2,6-dichloro-4-trifluoromethylphenyl)-pyrazoleSCHEMBL5283370
Database identifiers
- PubChem CID
- 9952800
Properties
Computed structural properties
- XLogP
- 6.6
- Topological polar surface area
- 41.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 2
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 562
Related reactions
2 records
Compound notes
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