Basic information
- CAS
85303-83-9- Standard SMILES
CCc1ccccc1-c1nc(-c2cccc(F)c2)n[nH]1- InChIKey
ANIGOOQXMDHYSN-UHFFFAOYSA-N- Molecular formula
- C16H14FN3
- Average molar mass
- 267.3 g/mol
- Monoisotopic mass
- 267.11717562
Names & identifiers
- Preferred name
- 3-(o-Ethylphenyl)-5-(m-fluorophenyl)-s-triazole
- IUPAC
- 5-(2-ethylphenyl)-3-(3-fluorophenyl)-1H-1,2,4-triazole
- English name
- 3-(2-Ethylphenyl)-5-(3-fluorophenyl)-1H-1,2,4-triazole
- Molecular formula
- C16H14FN3
- Molecular weight
- 267.3
Names & synonyms
85303-83-93-(o-Ethylphenyl)-5-(m-fluorophenyl)-s-triazoles-Triazole, 3-(o-ethylphenyl)-5-(m-fluorophenyl)-2L3RDS5360BRN 55678625-(2-ethylphenyl)-3-(3-fluorophenyl)-1h-1,2,4-triazole1H-1,2,4-Triazole, 3-(2-ethylphenyl)-5-(3-fluorophenyl)-1H-1,2,4-Triazole, 3-(o-ethylphenyl)-5-(2-fluorophenyl)-CHEMBL18261UNII-2L3RDS5360DTXSID402345091H-1,2,4-TRIAZOLE, 3-(2-ETHYLPHENYL)-5-(3-FLUOROPHENYL)
Show more names
Reaxys ID: 55678623-(2-Ethylphenyl)-5-(3-fluorophenyl)-1H-1,2,4-triazole
1H-1,2,4-TRIAZOLE, 5-(2-ETHYLPHENYL)-3-(3-FLUOROPHENYL)-
Database identifiers
- CAS
85303-83-9- PubChem CID
- 135352
- DTXSID
DTXSID40234509- ChEMBL
CHEMBL18261- UNII
- 2L3RDS5360
Properties
Computed structural properties
- XLogP
- 4.2
- Topological polar surface area
- 41.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 312
Physicochemical properties
- FDA UNII
- 2 L3RDS5360 · 2L3RDS5360
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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