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106291-25-2

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Basic Information
CAS No.: 106291-25-2
Name: 3'-FLUORO-4'-METHOXYLBIPHENYL-4-CARBOXYLIC ACID
Molecular Structure:
Molecular Structure of 106291-25-2 (3'-FLUORO-4'-METHOXYLBIPHENYL-4-CARBOXYLIC ACID)
Formula: C14H11FO3
Molecular Weight: 246.238
Synonyms: 3'-Fluoro-4'-methoxy-[1,1'-biphenyl]-4-carboxylicacid;
Density: 1.259 g/cm3
Boiling Point: 412.9 °C at 760 mmHg
Flash Point: 203.5 °C
PSA: 46.53000
LogP: 3.19950
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Specification

This chemical is called [1,1'-Biphenyl]-4-carboxylicacid, 3'-fluoro-4'-methoxy-, and its systematic name is 3'-fluoro-4'-methoxybiphenyl-4-carboxylic acid. With the molecular formula of C14H11FO3, its molecular weight is 246.23. The CAS registry number of this chemical is 106291-25-2.

Other characteristics of the [1,1'-Biphenyl]-4-carboxylicacid, 3'-fluoro-4'-methoxy- can be summarised as followings: (1)ACD/LogP: 3.77; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.4; (4)ACD/LogD (pH 7.4): 0.87; (5)ACD/BCF (pH 5.5): 18.33; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 113.83; (8)ACD/KOC (pH 7.4): 3.36; (9)#H bond acceptors: 3; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 35.53 Å2; (13)Index of Refraction: 1.573; (14)Molar Refractivity: 64.44 cm3; (15)Molar Volume: 195.4 cm3; (16)Polarizability: 25.54×10-24cm3; (17)Surface Tension: 45.1 dyne/cm; (18)Density: 1.259 g/cm3; (19)Flash Point: 203.5 °C; (20)Enthalpy of Vaporization: 70.18 kJ/mol; (21)Boiling Point: 412.9 °C at 760 mmHg; (22)Vapour Pressure: 1.48E-07 mmHg at 25°C.

You can still convert the following datas into molecular structure:
1.SMILES: Fc1cc(ccc1OC)c2ccc(C(=O)O)cc2
2.InChI: InChI=1/C14H11FO3/c1-18-13-7-6-11(8-12(13)15)9-2-4-10(5-3-9)14(16)17/h2-8H,1H3,(H,16,17)
3.InChIKey: FEZSDEWFHLIIFF-UHFFFAOYAD