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107680-18-2

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Basic Information
CAS No.: 107680-18-2
Name: (2R,3R)-2-(2-chlorophenyl)-3-(4-fluorophenyl)-1-(1H-1,2,4-triazol-1-yl)butane-2,3-diol
Article Data: 1
Molecular Structure:
Molecular Structure of 107680-18-2 ((2R,3R)-2-(2-chlorophenyl)-3-(4-fluorophenyl)-1-(1H-1,2,4-triazol-1-yl)butane-2,3-diol)
Formula: C18H17ClFN3O2
Molecular Weight: 361.803
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)-;
Density: 1.32 g/cm3
Boiling Point: 583.3 °C at 760 mmHg
Flash Point: 306.6 °C
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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