Basic information
- CAS
107741-30-0- Standard SMILES
O[C@H](c1ccc(Cl)cc1)[C@](O)(Cn1cncn1)c1ccc(Cl)cc1Cl- InChIKey
CUSOKRAHVMJAMY-SJORKVTESA-N- Molecular formula
- C17H14Cl3N3O2
- Average molar mass
- 398.7 g/mol
- Monoisotopic mass
- 397.01516
Names & identifiers
- Preferred name
- 1,2-Propanediol, 1-(4-chlorophenyl)-2-(2,4-dichlorophenyl)-3-(1H-1,2,4-triazol-1-yl)-, (1R,2R)-
- IUPAC
- (1R,2R)-1-(4-chlorophenyl)-2-(2,4-dichlorophenyl)-3-(1,2,4-triazol-1-yl)propane-1,2-diol
Names & synonyms
107741-30-01,2-Propanediol, 1-(4-chlorophenyl)-2-(2,4-dichlorophenyl)-3-(1H-1,2,4-triazol-1-yl)-, (1R,2R)-DTXSID20148231(1R,2R)-1-(4-chlorophenyl)-2-(2,4-dichlorophenyl)-3-(1,2,4-triazol-1-yl)propane-1,2-diol(1R,2R)-1-(4-Chlorophenyl)-2-(2,4-dichlorophenyl)-3-(1H-1,2,4-triazol-1-yl)propane-1,2-diol1,2-Propanediol, 1-(4-chlorophenyl)-2-(2,4-dichlorophenyl)-3-(1H-1,2,4-triazol-1-yl)-, rel-(1R,2R)-
Database identifiers
- CAS
107741-30-0- PubChem CID
- 3007635
- DTXSID
DTXSID20148231
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 71.2 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 439
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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