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215175-83-0

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Basic Information
CAS No.: 215175-83-0
Name: Methyl 2-(4’-Acetyl-2-fluoro-biphenyl-4-yl)-propionate
Article Data: 5
Molecular Structure:
Molecular Structure of 215175-83-0 (Methyl 2-(4’-Acetyl-2-fluoro-biphenyl-4-yl)-propionate)
Formula: C18H17FO3
Molecular Weight: 300.33
Synonyms: 2-(4’-Acetyl-2-fluoro-biphenyl-4-yl)-propionic Acid Methyl Ester;4-Acetyl-2-fluoro-a-methyl-[1,1-biphenyl]-4-acetic Acid Methyl Ester;Methyl 2-(4’-Acetyl-2-fluoro-biphenyl-4-yl)-propionate;4-Acetyl-2-fluoro-α-Methyl-[1,1-biphenyl]-4-acetic Acid Methyl Ester
Density: 1.152 g/cm3
Melting Point: 26-27 °C
Boiling Point: 394.7 °C at 760 mmHg
Flash Point: 185.9 °C
PSA: 43.37000
LogP: 3.97180
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Specification

The CAS registry number of [1,1'-Biphenyl]-4-aceticacid, 4'-acetyl-2-fluoro-a-methyl-, methyl ester is 215175-83-0. The systematic name is methyl 2-(4'-acetyl-2-fluorobiphenyl-4-yl)propanoate. In addition, the molecular formula is C18H17FO3 and the molecular weight is 300.32. What's more, it is a kind of yellow solid and belongs to the classes of Aromatics; Intermediates. And it can be used as an intermediate for the synthesis of the metabolite of flurbiprofen.

Physical properties about [1,1'-Biphenyl]-4-aceticacid, 4'-acetyl-2-fluoro-a-methyl-, methyl ester are: (1)ACD/LogP: 4.11; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 4.11; (4)ACD/LogD (pH 7.4): 4.11; (5)ACD/BCF (pH 5.5): 785.48; (6)ACD/BCF (pH 7.4): 785.48; (7)ACD/KOC (pH 5.5): 4110.92; (8)ACD/KOC (pH 7.4): 4110.92; (9)#H bond acceptors: 3; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 5; (12)Polar Surface Area: 43.37 Å2; (13)Index of Refraction: 1.537; (14)Molar Refractivity: 81.45 cm3; (15)Molar Volume: 260.5 cm3; (16)Polarizability: 32.29 ×10-24cm3; (17)Surface Tension: 39.3 dyne/cm; (18)Density: 1.152 g/cm3; (19)Flash Point: 185.9 °C; (20)Enthalpy of Vaporization: 64.48 kJ/mol; (21)Boiling Point: 394.7 °C at 760 mmHg; (22)Vapour Pressure: 1.94E-06 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: Fc2cc(ccc2c1ccc(cc1)C(C)=O)C(C)C(=O)OC
(2)InChI: InChI=1/C18H17FO3/c1-11(18(21)22-3)15-8-9-16(17(19)10-15)14-6-4-13(5-7-14)12(2)20/h4-11H,1-3H3
(3)InChIKey: GSUUVAORLIYLIT-UHFFFAOYAK