Basic information
- CAS
141079-12-1- Standard SMILES
Cc1ccc(-c2nnc(COc3ccccc3)n2-c2ccc(F)c(Cl)c2)cc1- InChIKey
ALWNOJZEHVQWJO-UHFFFAOYSA-N- Molecular formula
- C22H17ClFN3O
- Average molar mass
- 393.8 g/mol
- Monoisotopic mass
- 393.104418
Names & identifiers
- Preferred name
- 4H-1,2,4-Triazole, 4-(3-chloro-4-fluorophenyl)-3-(4-methylphenyl)-5-(phenoxymethyl)-
- IUPAC
- 4-(3-chloro-4-fluorophenyl)-3-(4-methylphenyl)-5-(phenoxymethyl)-1,2,4-triazole
- English name
- 4H-1,2,4-Triazole, 4-(3-chloro-4-fluorophenyl)-3-(4-methylphenyl)-5-(p henoxymethyl)-
- Molecular weight
- 0
Names & synonyms
141079-12-1BRN 54572194H-1,2,4-Triazole, 4-(3-chloro-4-fluorophenyl)-3-(4-methylphenyl)-5-(phenoxymethyl)-4-(3-Chloro-4-fluorophenyl)-3-(4-methylphenyl)-5-(phenoxymethyl)-4H-1,2,4-triazoleDTXSID20161561RefChem:296950DTXCID60840524-(3-chloro-4-fluorophenyl)-3-(4-methylphenyl)-5-(phenoxymethyl)-1,2,4-triazole4H-1,2,4-Triazole, 4-(3-chloro-4-fluorophenyl)-3-(4-methylphenyl)-5-(p henoxymethyl)-
Database identifiers
- CAS
141079-12-1- PubChem CID
- 3072166
- DTXSID
DTXSID20161561
Properties
Computed structural properties
- XLogP
- 5.3
- Topological polar surface area
- 39.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 484
Chemistry & industry
Suppliers2 total
HONEST JOY HOLDINGS LIMITED[email protected]
CHEMICAL LAND21[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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