The Benzaldehyde, 4,5-difluoro-2-hydroxy- (9CI), with the CAS registry number 199287-52-0, has the systematic name of 4,5-difluoro-2-hydroxybenzaldehyde. And the molecular formula of this chemical is C7H4F2O2. It is belongs to the product categories of Halide and Aldehyde.
The physical properties of Benzaldehyde, 4,5-difluoro-2-hydroxy- (9CI) are as following: (1)ACD/LogP: 2.27; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.26; (4)ACD/LogD (pH 7.4): 1.86; (5)ACD/BCF (pH 5.5): 30.77; (6)ACD/BCF (pH 7.4): 12.21; (7)ACD/KOC (pH 5.5): 402.17; (8)ACD/KOC (pH 7.4): 159.6; (9)#H bond acceptors: 2; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 37.3 Å2; (13)Index of Refraction: 1.559; (14)Molar Refractivity: 34.87 cm3; (15)Molar Volume: 107.9 cm3; (16)Polarizability: 13.82×10-24cm3; (17)Surface Tension: 46.3 dyne/cm; (18)Density: 1.464 g/cm3; (19)Flash Point: 89.3 °C; (20)Enthalpy of Vaporization: 47.93 kJ/mol; (21)Boiling Point: 224.1 °C at 760 mmHg; (22)Vapour Pressure: 0.0623 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: O=Cc1cc(F)c(F)cc1O
(2)InChI: InChI=1/C7H4F2O2/c8-5-1-4(3-10)7(11)2-6(5)9/h1-3,11H
(3)InChIKey: HRLWPXGNZQEUHM-UHFFFAOYAJ
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