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379-54-4

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Basic Information
CAS No.: 379-54-4
Name: 4,4'-(Chloro(phenyl)methylene)bis(fluorobenzene)
Article Data: 5
Molecular Structure:
Molecular Structure of 379-54-4 (4,4'-(Chloro(phenyl)methylene)bis(fluorobenzene))
Formula: C19H13ClF2
Molecular Weight: 314.762
Synonyms: LogP
Density: 1.246 g/cm3
Boiling Point: 385.614 °C at 760 mmHg
Flash Point: 222.279 °C
PSA: 0.00000
LogP: 5.49550
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Specification

With the CAS registry number 379-54-4, the systematic name of 4,4'-(Chloro(phenyl)methylene)bis(fluorobenzene) is 1-[chloro-(4-fluorophenyl)-phenyl-methyl]-4-fluoro-benzene. In addition, its molecular formula is C19H13ClF2 and molecular weight is 314.76.

The other characteristics of 4,4'-(Chloro(phenyl)methylene)bis(fluorobenzene) can be summarized as: (1)ACD/LogP: 5.37; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 5.369; (4)ACD/LogD (pH 7.4): 5.369; (5)ACD/BCF (pH 5.5): 7081.796; (6)ACD/BCF (pH 7.4): 7081.796; (7)ACD/KOC (pH 5.5): 19839.191; (8)ACD/KOC (pH 7.4): 19839.191; (9)H bond acceptors: 0; (10)H bond donors: 0; (11)Freely Rotating Bonds: 3; (12)Polar Surface Area: 0 Å2; (13)Index of Refraction: 1.583; (14)Molar Refractivity: 84.374 cm3; (15)Molar Volume: 252.587 cm3; (16)Polarizability: 33.448×10-24cm3; (17)Surface Tension: 40.482 dyne/cm; (18)Density: 1.246 g/cm3; (19)Flash Point: 222.279 °C; (20)Enthalpy of Vaporization: 60.962 kJ/mol; (21)Boiling Point: 385.614 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25 °C.

People can use the following data to convert to the molecule structure.
(1)SMILES:c1ccc(cc1)C(c2ccc(cc2)F)(c3ccc(cc3)F)Cl
(2)InChI:InChI=1/C19H13ClF2/c20-19(14-4-2-1-3-5-14,15-6-10-17(21)11-7-15)16-8-12-18(22)13-9-16/h1-13H
(3)InChIKey:FYPNFOAHWMDUQH-UHFFFAOYAG
(4)Std. InChI:InChI=1S/C19H13ClF2/c20-19(14-4-2-1-3-5-14,15-6-10-17(21)11-7-15)16-8-12-18(22)13-9-16/h1-13H
(5)Std. InChIKey:FYPNFOAHWMDUQH-UHFFFAOYSA-N