Benzoic acid,2-(bromomethyl)-3-nitro-, methyl ester

The Benzoic acid,2-(bromomethyl)-3-nitro-, methyl ester is an organic compound with the formula C₉H₈BrNO₄. The IUPAC name of this chemical is methyl 2-(bromomethyl)-3-nitrobenzoate. With the CAS registry number 98475-07-1, it is also named as 2-(Bromomethyl)-3-nitrobenzoic acid methyl ester.

Physical properties about Benzoic acid,2-(bromomethyl)-3-nitro-, methyl ester are: (1)ACD/LogP: 2.52; (2)ACD/LogD (pH 5.5): 2.52; (3)ACD/LogD (pH 7.4): 2.52; (4)ACD/BCF (pH 5.5): 48.39; (5)ACD/BCF (pH 7.4): 48.39; (6)ACD/KOC (pH 5.5): 559.18; (7)ACD/KOC (pH 7.4): 559.18; (8)#H bond acceptors: 5; (9)#Freely Rotating Bonds: 4; (10)Polar Surface Area: 72.12 Å²; (11)Index of Refraction: 1.593; (12)Molar Refractivity: 57.21 cm³; (13)Molar Volume: 168.6 cm³; (14)Polarizability: 22.68×10^-24cm³; (15)Surface Tension: 53.6 dyne/cm; (16)Density: 1.624 g/cm³; (17)Flash Point: 178.1 °C; (18)Enthalpy of Vaporization: 61.78 kJ/mol; (19)Boiling Point: 370.9 °C at 760 mmHg; (20)Vapour Pressure: 1.07E-05 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: BrCc1c(cccc1[N+]([O-])=O)C(=O)OC
(2)InChI: InChI=1/C9H8BrNO4/c1-15-9(12)6-3-2-4-8(11(13)14)7(6)5-10/h2-4H,5H2,1H3
(3)InChIKey: FCGIVHSBEKGQMZ-UHFFFAOYAQ
(4)Std. InChI: InChI=1S/C9H8BrNO4/c1-15-9(12)6-3-2-4-8(11(13)14)7(6)5-10/h2-4H,5H2,1H3
(5)Std. InChIKey: FCGIVHSBEKGQMZ-UHFFFAOYSA-N