2,3,4,5,6-pentafluoro-N-[2-(4-fluorophenyl)benzotriazol-5-yl]benzamide
Basic information
- CAS
6618-53-7- Standard SMILES
O=C(Nc1ccc2nn(-c3ccc(F)cc3)nc2c1)c1c(F)c(F)c(F)c(F)c1F- InChIKey
NENSARYAKUPPKO-UHFFFAOYSA-N- Molecular formula
- C19H8F6N4O
- Average molar mass
- 422.3 g/mol
- Monoisotopic mass
- 422.06022986
Names & identifiers
- Preferred name
- 2,3,4,5,6-pentafluoro-N-[2-(4-fluorophenyl)benzotriazol-5-yl]benzamide
- IUPAC
- 2,3,4,5,6-pentafluoro-N-[2-(4-fluorophenyl)benzotriazol-5-yl]benzamide
Names & synonyms
6618-53-72,3,4,5,6-pentafluoro-N-[2-(4-fluorophenyl)benzotriazol-5-yl]benzamideDTXSID60409530AKOS0039821962,3,4,5,6-Pentafluoro-N-[2-(4-fluorophenyl)-2H-1,2,3-benzotriazol-5-yl]benzamide
Database identifiers
- CAS
6618-53-7- PubChem CID
- 5201290
- DTXSID
DTXSID60409530
Properties
Computed structural properties
- XLogP
- 4.8
- Topological polar surface area
- 59.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 3
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 608
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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