3-Fluoro-1,2-bis(hydroxymethyl)benzene
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- Purity: 99,8%
Keywords
3-Fluoro-1,2-bis(hydroxymethyl)benzene 6-Iodo-2-oxindole 6-Iodo-2-oxindole
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3-Fluoro-1,2-bis(hydroxymethyl)benzene Specification
The 3-Fluoro-1,2-bis(hydroxymethyl)benzene, with the CAS registry number 160485-42-7, is also known as (3-Fluoro-2-hydroxymethylphenyl)methanol. It belongs to the product category of Halide. This chemical's molecular formula is C8H9FO2 and molecular weight is 156.15. What's more, its systematic name is (3-Fluoro-1,2-phenylene)dimethanol.
Physical properties of 3-Fluoro-1,2-bis(hydroxymethyl)benzene are: (1)ACD/LogP: 0.072; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.07; (4)ACD/LogD (pH 7.4): 0.07; (5)ACD/BCF (pH 5.5): 1.00; (6)ACD/BCF (pH 7.4): 1.00; (7)ACD/KOC (pH 5.5): 26.07; (8)ACD/KOC (pH 7.4): 26.07; (9)#H bond acceptors: 2; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 40.46 Å2; (13)Index of Refraction: 1.558; (14)Molar Refractivity: 39.149 cm3; (15)Molar Volume: 121.276 cm3; (16)Polarizability: 15.52×10-24cm3; (17)Surface Tension: 49.4 dyne/cm; (18)Density: 1.288 g/cm3; (19)Flash Point: 124.821 °C; (20)Enthalpy of Vaporization: 55.099 kJ/mol; (21)Boiling Point: 282.779 °C at 760 mmHg; (22)Vapour Pressure: 0.002 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: OCc1c(cccc1F)CO
(2)Std. InChI: InChI=1S/C8H9FO2/c9-8-3-1-2-6(4-10)7(8)5-11/h1-3,10-11H,4-5H2
(3)Std. InChIKey: UAXMLIVNXZKEOV-UHFFFAOYSA-N
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