Basic information
- CAS
1016677-08-9- Standard SMILES
Nc1n[nH]c(-c2ccc(Cl)cc2F)n1- InChIKey
WDMANTCWRFJMIJ-UHFFFAOYSA-N- Molecular formula
- C8H6ClFN4
- Average molar mass
- 212.61 g/mol
- Monoisotopic mass
- 212.0265021
Names & identifiers
- Preferred name
- 5-(4-Chloro-2-fluorophenyl)-4H-1,2,4-triazol-3-amine
- IUPAC
- 5-(4-chloro-2-fluorophenyl)-1H-1,2,4-triazol-3-amine
Names & synonyms
5-(4-CHLORO-2-FLUOROPHENYL)-4H-1,2,4-TRIAZOL-3-AMINE1016677-08-95-Amino-3-(4-chloro-2-fluorophenyl)-1H-1,2,4-triazoleDTXSID301220187MFCD09814847AKOS000163154SY362236CS-0285100EN300-11243713-(4-Chloro-2-fluorophenyl)-1H-1,2,4-triazol-5-amine
Database identifiers
- CAS
1016677-08-9- PubChem CID
- 20121270
- DTXSID
DTXSID301220187
Properties
Computed structural properties
- XLogP
- 2
- Topological polar surface area
- 67.6 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 206
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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