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CAS No.: | 361-63-7 |
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Name: | Bis(4-fluorophenyl)acetic acid |
Article Data: | 9 |
Molecular Structure: | |
Formula: | C14H10F2O2 |
Molecular Weight: | 248.229 |
Synonyms: | Aceticacid, bis(p-fluorophenyl)- (6CI,8CI);2,2-Bis(4-fluorophenyl)acetic acid;Bis(p-fluorophenyl)acetic acid; |
Density: | 1.312 g/cm3 |
Melting Point: | 138 °C |
Boiling Point: | 347.087 °C at 760 mmHg |
Flash Point: | 163.713 °C |
PSA: | 37.30000 |
LogP: | 3.18130 |
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The Bis(4-fluorophenyl)acetic acid with cas registry number of 361-63-7, is alsi called Aceticacid, bis(p-fluorophenyl)- (6CI,8CI) ; 2,2-Bis(4-fluorophenyl)acetic acid .The Bis(4-fluorophenyl)acetic acid belongs to the following product categorie: Benzene series.
Physical properties of Bis(4-fluorophenyl)acetic acid :(1)ACD/LogP: 3.27; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2; (4)ACD/BCF (pH 5.5): 4; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 27; (7)ACD/KOC (pH 7.4): 1; (8)#H bond acceptors: 2; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 3; (11)Polar Surface Area: 37.3 Å2; (12)Index of Refraction: 1.567; (13)Molar Refractivity: 61.755 cm3; (14)Molar Volume: 189.135 cm3; (15)Polarizability: 24.482×10-24cm3; (16)Surface Tension: 46.094 dyne/cm; (17)Enthalpy of Vaporization: 62.405 kJ/mol; (18)Vapour Pressure: 0 mmHg at 25°C.
You can still convert the following datas into molecular structure:(1)SMILES:Fc1ccc(cc1)C(C(O)=O)c2ccc(F)cc2; (2)InChI:InChI=1/C14H10F2O2/c15-11-5-1-9(2-6-11)13(14(17)18)10-3-7-12(16)8-4-10/h1-8,13H,(H,17,18); (3)InChIKey:MCDCIWAVBWPRSP-UHFFFAOYAT; (4)Std. InChI:InChI=1S/C14H10F2O2/c15-11-5-1-9(2-6-11)13(14(17)18)10-3-7-12(16)8-4-10/h1-8,13H,(H,17,18); (5)Std. InChIKey:MCDCIWAVBWPRSP-UHFFFAOYSA-N.