Basic information
- Name:
2-(2,4-difluorophenyl)-3-(1H-1,2,4-triazol-1-yl)propane-1,2-diol
- Superlist Name:
- 2-(2,4-Difluorophenyl)-3-(1H-1,2,4-triazol-1-yl)-1,2-propanediol
- CAS No.:
118689-07-9
- Molecular Structure:
- Formula:
- C11H11F2N3O2
- Molecular Weight:
- 255.22
- Density:
- 1.428 g/cm3
- Boiling Point:
- 490.042 °C at 760 mmHg
- Flash Point:
- 250.168 °C
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Specification
The 2-(2,4-Difluorophenyl)-3-(1H-1,2,4-triazol-1-yl)-1,2-propanediol is an organic compound with the formula C11H11F2N3O2. The systematic name of this chemical is 2-(2,4-difluorophenyl)-3-(1H-1,2,4-triazol-1-yl)propane-1,2-diol. With the CAS registry number 118689-07-9, it is also named as 2-(2,4-difluorophenyl)-3-(1,2,4-triazolyl)propane-1,2-diol.
Physical properties about 2-(2,4-Difluorophenyl)-3-(1H-1,2,4-triazol-1-yl)-1,2-propanediol are: (1)ACD/LogP: 0.96; (2)ACD/BCF (pH 5.5): 1; (3)ACD/BCF (pH 7.4): 1; (4)ACD/KOC (pH 5.5): 30; (5)ACD/KOC (pH 7.4): 30; (6)#H bond acceptors: 5; (7)#H bond donors: 2; (8)#Freely Rotating Bonds: 6; (9)Polar Surface Area: 71.17 Å2; (10)Index of Refraction: 1.589; (11)Molar Refractivity: 60.183 cm3; (12)Molar Volume: 178.671 cm3; (13)Polarizability: 23.858×10-24cm3; (14)Surface Tension: 47.752 dyne/cm; (15)Density: 1.428 g/cm3; (16)Flash Point: 250.168 °C; (17)Enthalpy of Vaporization: 79.674 kJ/mol; (18)Boiling Point: 490.042 °C at 760 mmHg.
You can still convert the following datas into molecular structure:
(1)SMILES: OC(CO)(Cn1cncn1)c2ccc(F)cc2F
(2)InChI: InChI=1/C11H11F2N3O2/c12-8-1-2-9(10(13)3-8)11(18,5-17)4-16-7-14-6-15-16/h1-3,6-7,17-18H,4-5H2
(3)InChIKey: BZYVJTMKMDGJRN-UHFFFAOYAS
(4)Std. InChI: InChI=1S/C11H11F2N3O2/c12-8-1-2-9(10(13)3-8)11(18,5-17)4-16-7-14-6-15-16/h1-3,6-7,17-18H,4-5H2
(5)Std. InChIKey: BZYVJTMKMDGJRN-UHFFFAOYSA-N
