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CAS No.: | 1841-57-2 |
---|---|
Name: | 4'-FLUORO-BIPHENYL-2-CARBOXYLIC ACID |
Article Data: | 19 |
Molecular Structure: | |
Formula: | C13H9FO2 |
Molecular Weight: | 216.212 |
Synonyms: | 2-(4-Fluorophenyl)benzoic acid;2-Biphenylcarboxylicacid, 4'-fluoro- (7CI,8CI);4'-Fluoro-2-biphenylcarboxylic acid;4'-Fluoro-1,1'-biphenyl-2-carboxylic acid; |
Density: | 1.261 g/cm3 |
Melting Point: | >225 °C |
Boiling Point: | 340.9 °C at 760 mmHg |
Flash Point: | 160 °C |
Hazard Symbols: | Xi |
PSA: | 37.30000 |
LogP: | 3.19090 |
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This chemical is called [1,1'-Biphenyl]-2-carboxylicacid, 4'-fluoro-, and its systematic name is 4'-fluorobiphenyl-2-carboxylic acid. With the molecular formula of C13H9FO2, its molecular weight is 216.21. The CAS registry number of this chemical is 1841-57-2.
Other characteristics of the [1,1'-Biphenyl]-2-carboxylicacid, 4'-fluoro- can be summarised as followings: (1)ACD/LogP: 2.93; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.26; (4)ACD/LogD (pH 7.4): -0.08; (5)ACD/BCF (pH 5.5): 2.14; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 20.13; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 2; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 26.3 Å2; (13)Index of Refraction: 1.588; (14)Molar Refractivity: 57.76 cm3; (15)Molar Volume: 171.4 cm3; (16)Polarizability: 22.9×10-24cm3; (17)Surface Tension: 47.4 dyne/cm; (18)Density: 1.261 g/cm3; (19)Flash Point: 160 °C; (20)Enthalpy of Vaporization: 61.69 kJ/mol; (21)Boiling Point: 340.9 °C at 760 mmHg; (22)Vapour Pressure: 3.23E-05 mmHg at 25°C.
You can still convert the following datas into molecular structure:
1.SMILES: Fc2ccc(c1c(C(=O)O)cccc1)cc2
2.InChI: InChI=1/C13H9FO2/c14-10-7-5-9(6-8-10)11-3-1-2-4-12(11)13(15)16/h1-8H,(H,15,16)
3.InChIKey: LGVNEKHPDXUTKA-UHFFFAOYAV