Basic information
- CAS
804548-29-6- Standard SMILES
Oc1ccc(-c2nc(-c3ccc(F)cc3)nc(-c3ccc(F)cc3)n2)c(O)c1- InChIKey
KUKUREZNHYVENF-UHFFFAOYSA-N- Molecular formula
- C21H13F2N3O2
- Average molar mass
- 377.3 g/mol
- Monoisotopic mass
- 377.09758299
Names & identifiers
- Preferred name
- 4-[4,6-Bis(4-fluorophenyl)-1,3,5-triazin-2(1H)-ylidene]-3-hydroxycyclohexa-2,5-dien-1-one
- IUPAC
- 4-[4,6-bis(4-fluorophenyl)-1,3,5-triazin-2-yl]benzene-1,3-diol
Names & synonyms
804548-29-6DTXSID208281074-[4,6-Bis(4-fluorophenyl)-1,3,5-triazin-2(1H)-ylidene]-3-hydroxycyclohexa-2,5-dien-1-one
Database identifiers
- CAS
804548-29-6- PubChem CID
- 136199752
- DTXSID
DTXSID20828107
Properties
Computed structural properties
- XLogP
- 4.4
- Topological polar surface area
- 79.1 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 3
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 468
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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