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This chemical is called [1,1'-Biphenyl]-3-carboxaldehyde,3'-fluoro-, and it can also be named as 3-(3-Fluorophenyl)benzaldehyde. With the molecular formula of C13H9FO, its molecular weight is 200.21. The CAS registry number of this chemical is 400750-09-6, and its systematic name is 3'-Fluorobiphenyl-3-carbaldehyde.
Other characteristics of the [1,1'-Biphenyl]-3-carboxaldehyde,3'-fluoro- can be summarised as follows: (1)ACD/LogP: 3.93; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.93; (4)ACD/LogD (pH 7.4): 3.93; (5)ACD/BCF (pH 5.5): 571.29; (6)ACD/BCF (pH 7.4): 571.29; (7)ACD/KOC (pH 5.5): 3273.12; (8)ACD/KOC (pH 7.4): 3273.12; (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: 1.59; (14)Molar Refractivity: 57.59 cm3; (15)Molar Volume: 170.5 cm3; (16)Polarizability: 22.83×10-24 cm3; (17)Surface Tension: 41.4 dyne/cm; (18)Density: 1.173 g/cm3; (19)Flash Point: 225.5 °C; (20)Enthalpy of Vaporization: 57.55 kJ/mol; (21)Boiling Point: 332.7 °C at 760 mmHg; (22)Vapour Pressure: 0.000144 mmHg at 25°C.
When you are using this chemical, please be cautious about it as follows: This chemical is irritating to eyes, respiratory system and skin. You should wear suitable protective clothing, gloves and eye/face protection. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
You can still convert the following datas into molecular structure:
1.SMILES: Fc2cc(c1cc(C=O)ccc1)ccc2
2.InChI: InChI=1/C13H9FO/c14-13-6-2-5-12(8-13)11-4-1-3-10(7-11)9-15/h1-9H
3.InChIKey: JKHXPCVGTFXSES-UHFFFAOYAN