2,3-Butanediol, 3-(4-chlorophenyl)-2-(4-fluorophenyl)-1-(1H-1,2,4-triazol-1-yl)-, (2R,3S)-

Base Information

• Chemical Name: 2,3-Butanediol, 3-(4-chlorophenyl)-2-(4-fluorophenyl)-1-(1H-1,2,4-triazol-1-yl)-, (2R,3S)-
• CAS No.: 107680-16-0
• Molecular Formula: C18H17 Cl F N3 O2
• Molecular Weight: 361.7979
• DSSTox Substance ID: DTXSID10148200
• Wikidata: Q83013683
• Mol file: 107680-16-0.mol

Synonyms:107680-16-0;2,3-Butanediol, 3-(4-chlorophenyl)-2-(4-fluorophenyl)-1-(1H-1,2,4-triazol-1-yl)-, (2R,3S)-;DTXSID10148200;(2R,3S)-3-(4-chlorophenyl)-2-(4-fluorophenyl)-1-(1,2,4-triazol-1-yl)butane-2,3-diol;2,3-Butanediol, 3-(4-chlorophenyl)-2-(4-fluorophenyl)-1-(1H-1,2,4-triazol-1-yl)-, rel-(2R,3S)-

Chemical Property of 2,3-Butanediol, 3-(4-chlorophenyl)-2-(4-fluorophenyl)-1-(1H-1,2,4-triazol-1-yl)-, (2R,3S)-

Chemical Property:

• Vapor Pressure: 2.38E-14mmHg at 25°C
• Boiling Point: 581.2°Cat760mmHg
• Flash Point: 305.3°C
• Density: 1.32g/cm³
• XLogP3: 2.4
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 5
• Exact Mass: 361.0993326
• Heavy Atom Count: 25
• Complexity: 444

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C1=CC=C(C=C1)Cl)(C(CN2C=NC=N2)(C3=CC=C(C=C3)F)O)O
• Isomeric SMILES: C[C@](C1=CC=C(C=C1)Cl)([C@](CN2C=NC=N2)(C3=CC=C(C=C3)F)O)O