4H-1-Benzopyran-4-one, 6-fluoro-2-(1-methyl-1H-1,2,3-triazol-4-yl)-
Basic information
- CAS
131924-42-0- Standard SMILES
Cn1cc(-c2cc(=O)c3cc(F)ccc3o2)nn1- InChIKey
FSBXLWZFNCJGOW-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-4-yl)-
- IUPAC
- 6-fluoro-2-(1-methyltriazol-4-yl)chromen-4-one
- English name
- 4H-1-Benzopyran-4-one, 6-fluoro-2-(1-methyl-1H-1,2,3-triazol-4-yl)-
- Molecular formula
- C12H8FN3O2
- Molecular weight
- 245.21
Names & synonyms
131924-42-0BRN 41948174H-1-Benzopyran-4-one, 6-fluoro-2-(1-methyl-1H-1,2,3-triazol-4-yl)-6-Fluoro-2-(1-methyl-1H-1,2,3-triazol-4-yl)-4H-1-benzopyran-4-oneDTXSID10157256RefChem:297340DTXCID70797476-Fluoro-2-(1-methyl-1H-1,2,3-triazol-4-yl)-4H-chromen-4-one
Database identifiers
- CAS
131924-42-0- PubChem CID
- 3076541
- DTXSID
DTXSID10157256
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
Physicochemical properties
- EWG's Food Scores
- 1 · 1
Suppliers
Loading…
Open inquiries
Loading…
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…