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CAS No.: | 17692-38-5 |
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Name: | Fluprofen |
Article Data: | 2 |
Molecular Structure: | |
Formula: | C15H13FO2 |
Molecular Weight: | 244.265 |
Synonyms: | R.D. 17345;4-Biphenylaceticacid, 3'-fluoro-a-methyl-(8CI);2-(3'-Fluoro-4-biphenylyl)propionic acid;Fluprofen;2-(3'-Fluorobiphenyl-4-yl)propanoicacid;3'-Fluoro-a-methyl-4-biphenylaceticacid; |
Density: | 1.199 g/cm3 |
Boiling Point: | 389.5 °C at 760 mmHg |
Flash Point: | 189.3 °C |
PSA: | 37.30000 |
LogP: | 3.68080 |
This chemical is called 2-(3'-Fluorobiphenyl-4-yl)propanoic acid, and it can also be named as Fluprofen [INN:BAN]. With the molecular formula of C15H13FO2, its molecular weight is 244.26. The CAS registry number of this chemical is 17692-38-5.
Other characteristics of the 2-(3'-Fluorobiphenyl-4-yl)propanoic acid can be summarised as followings: (1)ACD/LogP: 3.86; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.4; (4)ACD/LogD (pH 7.4): 0.61; (5)ACD/BCF (pH 5.5): 19.66; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 130.63; (8)ACD/KOC (pH 7.4): 2.14; (9)#H bond acceptors: 2; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 26.3 Å2; (13)Index of Refraction: 1.567; (14)Molar Refractivity: 66.58 cm3; (15)Molar Volume: 203.6 cm3; (16)Polarizability: 26.39×10-24cm3; (17)Surface Tension: 44 dyne/cm; (18)Density: 1.199 g/cm3; (19)Flash Point: 189.3 °C; (20)Enthalpy of Vaporization: 67.38 kJ/mol; (21)Boiling Point: 389.5 °C at 760 mmHg; (22)Vapour Pressure: 9.18E-07 mmHg at 25°C.
You can still convert the following datas into molecular structure:
1.SMILES: Fc2cc(c1ccc(cc1)C(C(=O)O)C)ccc2
2.InChI: InChI=1/C15H13FO2/c1-10(15(17)18)11-5-7-12(8-6-11)13-3-2-4-14(16)9-13/h2-10H,1H3,(H,17,18)
3.InChIKey: TYCOFFBAZNSQOJ-UHFFFAOYAI