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118689-07-9

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Basic Information
CAS No.: 118689-07-9
Name: 2-(2,4-Difluorophenyl)-3-(1H-1,2,4-triazol-1-yl)-1,2-propanediol
Article Data: 5
Molecular Structure:
Molecular Structure of 118689-07-9 (2-(2,4-Difluorophenyl)-3-(1H-1,2,4-triazol-1-yl)-1,2-propanediol)
Formula: C11H11F2N3O2
Molecular Weight: 255.224
Synonyms: 2-(2,4-Difluorophenyl)-3-(1H-1,2,4-triazol-1-yl)-1,2-propanediol
Density: 1.428 g/cm3
Boiling Point: 490.042 °C at 760 mmHg
Flash Point: 250.168 °C
PSA: 71.17000
LogP: 0.43640
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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