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194798-83-9

Basic Information
CAS No.: 194798-83-9
Name: Fosfluconazole
Article Data: 4
Molecular Structure:
Molecular Structure of 194798-83-9 (Fosfluconazole)
Formula: C13H13F2N6O4P
Molecular Weight: 386.255
Synonyms: 2-(2,4-Difluorophenyl)-1,3-di(1H-1,2,4-triazol-1-yl)propyl dihydrogen phosphate;
EINECS: 1312995-182-4
Density: 1.7 g/cm3
Melting Point: 223-224°
Boiling Point: 701.5 °C at 760 mmHg
Flash Point: 378.1 °C
Appearance: White to off-white solid
PSA: 137.99000
LogP: 1.23970
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    Specifications CAS No.: 194798-83-9 Other Names: Clorsulon MF: C13H13F2N6O4P Place of Origin: Hubei, China (Mainland) Type: Other Grade Standard: Medicine Grade Brand Name: Luyunjia Model Number: 194798-83-9 Purity: 99% Product Nam

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Specification

The 1H-1,2,4-Triazole-1-ethanol,a-(2,4-difluorophenyl)-a-(1H-1,2,4-triazol-1-ylmethyl)-,1-(dihydrogen phosphate), with the CAS registry number 194798-83-9, is also known as 2-(2,4-Difluorophenyl)-1,3-di(1H-1,2,4-triazol-1-yl)propyl dihydrogen phosphate. This chemical's molecular formula is C13H13F2N6O4P and molecular weight is 386.2507. What's more, its IUPAC name is [2-(2,4-Difluorophenyl)-1,3-bis(1,2,4-triazol-1-yl)propan-
2-yl] dihydrogen phosphate. Its classification code is Antifungal.

Physical properties about 1H-1,2,4-Triazole-1-ethanol,a-(2,4-difluorophenyl)-a-(1H-1,2,4-triazol-1-ylmethyl)-,1-(dihydrogen phosphate)  are: (1)ACD/LogP: -1.23; (2)# of Rule of 5 Violations: 1; (3)ACD/BCF (pH 5.5): 1; (4)ACD/BCF (pH 7.4): 1; (5)ACD/KOC (pH 5.5): 1; (6)ACD/KOC (pH 7.4): 1; (7)#H bond acceptors: 10; (8)#H bond donors: 2; (9)#Freely Rotating Bonds: 7; (10)Polar Surface Area: 115.99 Å2; (11)Index of Refraction: 1.683; (12)Molar Refractivity: 86.01 cm3; (13)Molar Volume: 226.6 cm3; (14)Polarizability: 34.09×10-24 cm3; (15)Surface Tension: 73.1 dyne/cm; (16)Density: 1.7 g/cm3; (17)Flash Point: 378.1 °C; (18)Enthalpy of Vaporization: 107.82 kJ/mol; (19)Boiling Point: 701.5 °C at 760 mmHg; (20)Vapour Pressure: 1.18E-20 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: Fc1ccc(c(F)c1)C(OP(=O)(O)O)(Cn2ncnc2)Cn3ncnc3
(2) InChI: InChI=1/C13H13F2N6O4P/c14-10-1-2-11(12(15)3-10)13(25-26(22,23)24,4-20-8-16-6-18-20)5-21-9-17-7-19-21/h1-3,6-9H,4-5H2,(H2,22,23,24)
(3) InChIKey: GHJWNRRCRIGGIO-UHFFFAOYAZ