The Benzoic acid,2-bromo-4-fluoro-, methyl ester, also known as ZINC04362889, is the organic compound with the formula C8H6BrFO2. It belongs to the product categories of Blocks; Bromides; Carboxes; FluoroCompounds. With the CAS registry number 653-92-9, its IUPAC name is methyl 2-bromo-4-fluorobenzoate. When you are using this chemical, please be cautious about it. This chemical may cause inflammation to the skin or other mucous membranes.
Physical properties of Benzoic acid,2-bromo-4-fluoro-, methyl ester: (1)ACD/LogP: 2.62; (2)#H bond acceptors: 2; (3)#Freely Rotating Bonds: 2; (4)Index of Refraction: 1.531; (5)Molar Refractivity: 45.7 cm3; (6)Molar Volume: 147.7 cm3; (7)Surface Tension: 39.2 dyne/cm; (8)Density: 1.577 g/cm3; (9)Flash Point: 99.7 °C; (10)Enthalpy of Vaporization: 47.82 kJ/mol; (11)Boiling Point: 241.3 °C at 760 mmHg; (12)Vapour Pressure: 0.0362 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)Canonical SMILES: COC(=O)C1=C(C=C(C=C1)F)Br
(2)InChI: InChI=1S/C8H6BrFO2/c1-12-8(11)6-3-2-5(10)4-7(6)9/h2-4H,1H3
(3)InChIKey: JENBPOJAZCPSEW-UHFFFAOYSA-N
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