Name: Bis(4-fluorophenyl)acetic acid
SKU: 361-63-7

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Basic Information

Molecular Structure:
CAS No.:	361-63-7
Name:	Bis(4-fluorophenyl)acetic acid
Article Data:	9

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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Specification

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.