Benzoic acid,4-bromo-2-(bromomethyl)-, methyl ester (78471-43-9)

The Methyl 4-bromo-2-bromomethylbenzoate is an organic compound with the formula C₉H₈Br₂O₂. The IUPAC name of this chemical is methyl 4-bromo-2-(bromomethyl)benzoate. With the CAS registry number 78471-43-9, it is also named as benzoic acid, 4-bromo-2-(bromomethyl)-, methyl ester.

Physical properties about Methyl 4-bromo-2-bromomethylbenzoate are: (1)ACD/LogP: 3.31; (2)ACD/LogD (pH 5.5): 4; (3)ACD/LogD (pH 7.4): 4; (4)ACD/BCF (pH 5.5): 349; (5)ACD/BCF (pH 7.4): 349; (6)ACD/KOC (pH 5.5): 2300; (7)ACD/KOC (pH 7.4): 2300; (8)#H bond acceptors: 2; (9)#Freely Rotating Bonds: 3; (10)Polar Surface Area: 26.3 Å²; (11)Index of Refraction: 1.59; (12)Molar Refractivity: 58.364 cm³; (13)Molar Volume: 173.003 cm³; (14)Polarizability: 23.137×10^-24cm³; (15)Surface Tension: 46.417 dyne/cm; (16)Density: 1.78 g/cm³; (17)Flash Point: 174.103 °C; (18)Enthalpy of Vaporization: 61.043 kJ/mol; (19)Boiling Point: 364.267 °C at 760 mmHg.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(OC)c1ccc(Br)cc1CBr
(2)InChI: InChI=1/C9H8Br2O2/c1-13-9(12)8-3-2-7(11)4-6(8)5-10/h2-4H,5H2,1H3
(3)InChIKey: SGFACFBLUAWICV-UHFFFAOYAU
(4)Std. InChI: InChI=1S/C9H8Br2O2/c1-13-9(12)8-3-2-7(11)4-6(8)5-10/h2-4H,5H2,1H3
(5)Std. InChIKey: SGFACFBLUAWICV-UHFFFAOYSA-N