Basic information
- CAS
76674-11-8- Standard SMILES
OC(Cn1cncn1)(c1ccc(Cl)cc1)c1ccc(Cl)cc1- InChIKey
YNPMJBDUDVPVFO-UHFFFAOYSA-N- Molecular formula
- C16H13Cl2N3O
- Average molar mass
- 334.2 g/mol
- Monoisotopic mass
- 333.0435674
Names & identifiers
- Preferred name
- 1H-1,2,4-Triazole-1-ethanol, alpha,alpha-bis(4-chlorophenyl)-
- IUPAC
- 1,1-bis(4-chlorophenyl)-2-(1,2,4-triazol-1-yl)ethanol
Names & synonyms
76674-11-81H-1,2,4-Triazole-1-ethanol, alpha,alpha-bis(4-chlorophenyl)-alpha,alpha-Bis(4-chlorophenyl)-as-triazoleethanolSCHEMBL10961945DTXSID802274751H-1,2,4-Triazole-1-ethanol,alpha,alpha-bis(4-chlorophenyl)alpha,alpha-Bis(4-chlorophenyl)-1H-1,2,4-triazole-1-ethanol1,1-Bis(4-chlorophenyl)-2-(1H-1,2,4-triazol-1-yl)ethan-1-ol
Database identifiers
- CAS
76674-11-8- PubChem CID
- 135331
- DTXSID
DTXSID80227475
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 50.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 333
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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