The CAS registry number of Benzaldehyde, 5-bromo-4-fluoro-2-hydroxy- is 399-00-8. The systematic name is 5-Bromo-4-fluoro-2-hydroxy-benzaldehyde. In addition, the molecular formula is C7H4BrFO2 and the molecular weight is 219.01. What's more, it should be stored in a cool and dry place.
Physical properties about Benzaldehyde, 5-bromo-4-fluoro-2-hydroxy- are: (1)ACD/LogP: 2.90; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 2; (4)#H bond donors: 1; (5)#Freely Rotating Bonds: 2; (6)Polar Surface Area: 26.3 Å2; (7)Index of Refraction: 1.628; (8)Molar Refractivity: 42.57 cm3; (9)Molar Volume: 119.9 cm3; (10)Polarizability: 16.87 ×10-24cm3; (11)Surface Tension: 53.9 dyne/cm; (12)Density: 1.826 g/cm3; (13)Flash Point: 109 °C; (14)Enthalpy of Vaporization: 51.41 kJ/mol; (15)Boiling Point: 256.6 °C at 760 mmHg; (16)Vapour Pressure: 0.00947 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: Fc1cc(O)c(cc1Br)C=O
(2)InChI: InChI=1/C7H4BrFO2/c8-5-1-4(3-10)7(11)2-6(5)9/h1-3,11H
(3)InChIKey: QKTZGVUIYFBODQ-UHFFFAOYAJ
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