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

Name
(2R,3R)-2-(2-chlorophenyl)-3-(4-fluorophenyl)-1-(1H-1,2,4-triazol-1-yl)butane-2,3-diol
EINECS
CAS No. 107680-18-2
Article Data1
CAS DataBase
Density 1.32 g/cm³
Solubility
Melting Point
Formula C₁₈H₁₇ClFN₃O₂
Boiling Point 583.3 °C at 760 mmHg
Molecular Weight 361.803
Flash Point 306.6 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 2,3-Butanediol,2-(2-chlorophenyl)-3-(4-fluorophenyl)-1-(1H-1,2,4-triazol-1-yl)-, (R*,R*)-(9CI);2,3-Butanediol,2-(2-chlorophenyl)-3-(4-fluorophenyl)-1-(1H-1,2,4-triazol-1-yl)-, (R*,R*)-(?à)-;
PSA
LogP

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

This chemical is called 2,3-Butanediol,2-(2-chlorophenyl)-3-(4-fluorophenyl)-1-(1H-1,2,4-triazol-1-yl)-, (2R,3R)-rel-, and its systematic name is (2R,3R)-2-(2-chlorophenyl)-3-(4-fluorophenyl)-1-(1H-1,2,4-triazol-1-yl)butane-2,3-diol. With the molecular formula of C₁₈H₁₇ClFN₃O₂, its molecular weight is 361.80. The CAS registry number of this chemical is 107680-18-2.

Other characteristics of the 2,3-Butanediol,2-(2-chlorophenyl)-3-(4-fluorophenyl)-1-(1H-1,2,4-triazol-1-yl)-, (2R,3R)-rel- can be summarised as followings: (1)ACD/LogP: 3.05; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.05; (4)ACD/LogD (pH 7.4): 3.05; (5)ACD/BCF (pH 5.5): 121.44; (6)ACD/BCF (pH 7.4): 121.87; (7)ACD/KOC (pH 5.5): 1079.31; (8)ACD/KOC (pH 7.4): 1083.13; (9)#H bond acceptors: 5; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 7; (12)Polar Surface Area: 49.17 Å²; (13)Index of Refraction: 1.61; (14)Molar Refractivity: 94.97 cm³; (15)Molar Volume: 273.6 cm³; (16)Polarizability: 37.65×10^-24cm³; (17)Surface Tension: 48.2 dyne/cm; (18)Density: 1.32 g/cm³; (19)Flash Point: 306.6 °C; (20)Enthalpy of Vaporization: 91.71 kJ/mol; (21)Boiling Point: 583.3 °C at 760 mmHg; (22)Vapour Pressure: 1.89E-14 mmHg at 25°C.

You can still convert the following datas into molecular structure:
1.SMILES: Fc1ccc(cc1)[C@@](O)([C@@](O)(c2ccccc2Cl)Cn3ncnc3)C
2.InChI: InChI=1/C18H17ClFN3O2/c1-17(24,13-6-8-14(20)9-7-13)18(25,10-23-12-21-11-22-23)15-4-2-3-5-16(15)19/h2-9,11-12,24-25H,10H2,1H3/t17-,18+/m1/s1
3.InChIKey: ABSJHJJNVMBAHU-MSOLQXFVBJ

Product Name

(2R,3R)-2-(2-chlorophenyl)-3-(4-fluorophenyl)-1-(1H-1,2,4-triazol-1-yl)butane-2,3-diol

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

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