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CAS No.: | 221018-03-7 |
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Name: | 3',5'-DIFLUOROBIPHENYL-4-CARBALDEHYDE |
Article Data: | 6 |
Molecular Structure: | |
Formula: | C13H8F2O |
Molecular Weight: | 218.203 |
Synonyms: | 4-(3,5-Difluorophenyl)benzaldehyde;3',5'-Difluorobiphenyl-4-carbaldehyde; |
Density: | 1.248 g/cm3 |
Boiling Point: | 322.8 °C at 760 mmHg |
Flash Point: | 123.8 °C |
PSA: | 17.07000 |
LogP: | 3.44430 |
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This chemical is called [1,1'-Biphenyl]-4-carboxaldehyde,3',5'-difluoro-, and it can also be named as 4-(3,5-Difluorophenyl)benzaldehyde. With the molecular formula of C13H8F2O, its molecular weight is 218.2. The CAS registry number of this chemical is 221018-03-7. Its systematic name is 3',5'-Difluorobiphenyl-4-carbaldehyde.
Other characteristics of the [1,1'-Biphenyl]-4-carboxaldehyde,3',5'-difluoro- can be summarised as followings: (1)ACD/LogP: 3.37; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.37; (4)ACD/LogD (pH 7.4): 3.37; (5)ACD/BCF (pH 5.5): 214.52; (6)ACD/BCF (pH 7.4): 214.52; (7)ACD/KOC (pH 5.5): 1623.58; (8)ACD/KOC (pH 7.4): 1623.58; (9)#H bond acceptors: 1; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 17.07 Å2; (13)Index of Refraction: 1.572; (14)Molar Refractivity: 57.58 cm3; (15)Molar Volume: 174.8 cm3; (16)Polarizability: 22.82×10-24 cm3; (17)Surface Tension: 40.1 dyne/cm; (18)Density: 1.248 g/cm3; (19)Flash Point: 123.8 °C; (20)Enthalpy of Vaporization: 56.47 kJ/mol; (21)Boiling Point: 322.8 °C at 760 mmHg; (22)Vapour Pressure: 0.000272 mmHg at 25°C.
You can still convert the following datas into molecular structure:
1.SMILES: Fc2cc(c1ccc(C=O)cc1)cc(F)c2
2.InChI: InChI=1/C13H8F2O/c14-12-5-11(6-13(15)7-12)10-3-1-9(8-16)2-4-10/h1-8H
3.InChIKey: KKOQMGVTGKBJBL-UHFFFAOYAR