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215175-84-1

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Basic Information
CAS No.: 215175-84-1
Name: Methyl 2-(4’-Acetoxy-2-fluoro-biphenyl-4-yl)-propionate
Article Data: 5
Molecular Structure:
Molecular Structure of 215175-84-1 (Methyl 2-(4’-Acetoxy-2-fluoro-biphenyl-4-yl)-propionate)
Formula: C18H17FO4
Molecular Weight: 316.329
Synonyms: Methyl 2-[4'-(acetyloxy)-2-fluorobiphenyl-4-yl]propanoate;2-(4'-Acetoxy-2-fluoro-biphenyl-4-yl)-propionic acid methyl ester;
Density: 1.186 g/cm3
Boiling Point: 401.2 °C at 760 mmHg
Flash Point: 189.6 °C
PSA: 52.60000
LogP: 3.69450
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    [1,1'-Biphenyl]-4-aceticacid,4'-(acetyloxy)-2-fluoro-a-methyl-,methyl ester

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Specification

The CAS registry number of [1,1'-Biphenyl]-4-aceticacid,4'-(acetyloxy)-2-fluoro-a-methyl-,methyl ester is 215175-84-1. The systematic name is methyl 2-[4'-(acetyloxy)-2-fluorobiphenyl-4-yl]propanoate. In addition, the molecular formula is C18H17FO4 and the molecular weight is 316.32. It is a kind of white solid and belongs to the classes of Aromatics and Drug Analogues.

Physical properties about [1,1'-Biphenyl]-4-aceticacid,4'-(acetyloxy)-2-fluoro-a-methyl-,methyl ester are: (1)ACD/LogP: 4.16; (2)ACD/LogD (pH 5.5): 4.16; (3)ACD/LogD (pH 7.4): 4.16; (4)ACD/BCF (pH 5.5): 860.89; (5)ACD/BCF (pH 7.4): 860.89; (6)ACD/KOC (pH 5.5): 4389.7; (7)ACD/KOC (pH 7.4): 4389.7; (8)#H bond acceptors: 4; (9)#Freely Rotating Bonds: 6; (10)Polar Surface Area: 52.6 Å2; (11)Index of Refraction: 1.533; (12)Molar Refractivity: 82.77 cm3; (13)Molar Volume: 266.6 cm3; (14)Polarizability: 32.81 ×10-24cm3; (15)Surface Tension: 39.6 dyne/cm; (16)Density: 1.186 g/cm3; (17)Flash Point: 189.6 °C; (18)Enthalpy of Vaporization: 65.22 kJ/mol; (19)Boiling Point: 401.2 °C at 760 mmHg; (20)Vapour Pressure: 1.2E-06 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(C)Oc1ccc(cc1)c2ccc(cc2F)C(C)C(=O)OC
(2)InChI: InChI=1/C18H17FO4/c1-11(18(21)22-3)14-6-9-16(17(19)10-14)13-4-7-15(8-5-13)23-12(2)20/h4-11H,1-3H3
(3)InChIKey: PPSZEZRRJWMPME-UHFFFAOYAH