5-(2,4-dichlorophenyl)-3-ethoxy-1H-1,2,4-triazole
Basic information
- CAS
62036-14-0- Standard SMILES
CCOc1n[nH]c(-c2ccc(Cl)cc2Cl)n1- InChIKey
IJHPPERHTMKKAM-UHFFFAOYSA-N- Molecular formula
- C10H9Cl2N3O
- Average molar mass
- 258.1 g/mol
- Monoisotopic mass
- 257.0122673
Names & identifiers
- Preferred name
- 5-(2,4-dichlorophenyl)-3-ethoxy-1H-1,2,4-triazole
- IUPAC
- 5-(2,4-dichlorophenyl)-3-ethoxy-1H-1,2,4-triazole
Names & synonyms
62036-14-05-(2,4-dichlorophenyl)-3-ethoxy-1H-1,2,4-triazoleNSC292584DTXSID40315160NSC-292584
Database identifiers
- CAS
62036-14-0- PubChem CID
- 325053
- DTXSID
DTXSID40315160
Properties
Computed structural properties
- XLogP
- 3.6
- Topological polar surface area
- 50.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 232
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Compound notes
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