Basic information
- CAS
131924-41-9- Standard SMILES
Cn1nncc1-c1cc(=O)c2cc(F)ccc2o1- InChIKey
DGZMCWQXTWUGSX-UHFFFAOYSA-N- Molecular formula
- C12H8FN3O2
- Average molar mass
- 245.21 g/mol
- Monoisotopic mass
- 245.06005467
Names & identifiers
- Preferred name
- 4H-1-Benzopyran-4-one, 6-fluoro-2-(1-methyl-1H-1,2,3-triazol-5-yl)-
- IUPAC
- 6-fluoro-2-(3-methyltriazol-4-yl)chromen-4-one
Names & synonyms
BRN 41959014H-1-Benzopyran-4-one, 6-fluoro-2-(1-methyl-1H-1,2,3-triazol-5-yl)-131924-41-96-Fluoro-2-(1-methyl-1H-1,2,3-triazol-5-yl)-4H-1-benzopyran-4-oneDTXSID50157255RefChem:297341DTXCID2079746
Database identifiers
- CAS
131924-41-9- PubChem CID
- 3076540
- DTXSID
DTXSID50157255
Properties
Computed structural properties
- XLogP
- 1.1
- Topological polar surface area
- 57 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 1
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 388
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…