5-(3-chlorophenyl)-3-ethoxy-1H-1,2,4-triazole
Basic information
- CAS
62036-04-8- Standard SMILES
CCOc1n[nH]c(-c2cccc(Cl)c2)n1- InChIKey
XNQFXOUETGDHDU-UHFFFAOYSA-N- Molecular formula
- C10H10ClN3O
- Average molar mass
- 223.66 g/mol
- Monoisotopic mass
- 223.0512396
Names & identifiers
- Preferred name
- 5-(3-chlorophenyl)-3-ethoxy-1H-1,2,4-triazole
- IUPAC
- 5-(3-chlorophenyl)-3-ethoxy-1H-1,2,4-triazole
Names & synonyms
62036-04-83-(3-CHLOROPHENYL)-5-ETHOXY-1H-1,2,4-TRIAZOLE5-(3-chlorophenyl)-3-ethoxy-1H-1,2,4-triazoleDTXSID40354372AG-690/330350145-(3-chlorophenyl)-4H-1,2,4-triazol-3-yl ethyl ether
Database identifiers
- CAS
62036-04-8- PubChem CID
- 770632
- DTXSID
DTXSID40354372
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 50.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 205
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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