The Benzene,1,3-difluoro-5-methyl-, with CAS registry number 117358-51-7, belongs to the following product categories: (1)Fluorin-contained toluene series; (2)Halogen toluene. It has the systematic name of 1,3-difluoro-5-methylbenzene. And the chemical formula of this chemical is C7H6F2.
Physical properties of Benzene,1,3-difluoro-5-methyl-: (1)ACD/LogP: 2.82; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.82; (4)ACD/LogD (pH 7.4): 2.82; (5)ACD/BCF (pH 5.5): 81.79; (6)ACD/BCF (pH 7.4): 81.79; (7)ACD/KOC (pH 5.5): 814.19; (8)ACD/KOC (pH 7.4): 814.19; (9)#H bond acceptors: 0; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 0 Å2; (13)Index of Refraction: 1.456; (14)Molar Refractivity: 31.06 cm3; (15)Molar Volume: 114.1 cm3; (16)Polarizability: 12.31×10-24cm3; (17)Surface Tension: 26.5 dyne/cm; (18)Enthalpy of Vaporization: 34.11 kJ/mol; (19)Vapour Pressure: 20.6 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: Fc1cc(cc(F)c1)C
(2)InChI: InChI=1/C7H6F2/c1-5-2-6(8)4-7(9)3-5/h2-4H,1H3
(3)InChIKey: YISYUYYETHYYMD-UHFFFAOYAO
(4)Std. InChI: InChI=1S/C7H6F2/c1-5-2-6(8)4-7(9)3-5/h2-4H,1H3
(5)Std. InChIKey: YISYUYYETHYYMD-UHFFFAOYSA-N
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