Product Name

Acetic acid, fluoro(phenylsulfinyl)-, ethyl ester Specification

The Acetic acid, fluoro(phenylsulfinyl)-, ethyl ester with CAS registry number of 129599-90-2 is also known as Ethyl 2-fluoro-2-(phenylsulfinyl)acetate. The systematic name is Ethyl fluoro(phenylsulfinyl)acetate. In addition, the formula is C10H11FO3S and the molecular weight is 230.26.

Physical properties about Acetic acid, fluoro(phenylsulfinyl)-, ethyl ester are: (1)ACD/LogP: 1.65; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.65; (4)ACD/LogD (pH 7.4): 1.65; (5)ACD/BCF (pH 5.5): 10.58; (6)ACD/BCF (pH 7.4): 10.58; (7)ACD/KOC (pH 5.5): 188.39; (8)ACD/KOC (pH 7.4): 188.39; (9)#H bond acceptors: 3; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 5; (12)Polar Surface Area: 62.58Å2; (13)Index of Refraction: 1.551; (14)Molar Refractivity: 56.09 cm3; (15)Molar Volume: 175.5 cm3; (16)Polarizability: 22.23×10-24cm3; (17)Surface Tension: 51.1 dyne/cm; (18)Density: 1.31 g/cm3; (19)Flash Point: 171.6 °C; (20)Enthalpy of Vaporization: 60.57 kJ/mol; (21)Boiling Point: 360.1 °C at 760 mmHg; (22)Vapour Pressure: 2.28E-05 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
1. SMILES: O=S(c1ccccc1)C(F)C(=O)OCC
2. InChI: InChI=1/C10H11FO3S/c1-2-14-10(12)9(11)15(13)8-6-4-3-5-7-8/h3-7,9H,2H2,1H3
3. InChIKey: OUVKMVPNWYLHCV-UHFFFAOYAU
4. Std. InChI: InChI=1S/C10H11FO3S/c1-2-14-10(12)9(11)15(13)8-6-4-3-5-7-8/h3-7,9H,2H2,1H3
5. Std. InChIKey: OUVKMVPNWYLHCV-UHFFFAOYSA-N

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