Benzoic acid,3-bromo-5-nitro-, methyl ester (6307-87-5)

The CAS register number of Methyl 3-bromo-5-nitrobenzoate is 6307-87-5. It also can be called as Benzoic acid,3-bromo-5-nitro-, methyl ester and the IUPAC name about this chemical is methyl 3-bromo-5-nitrobenzoate. It belongs to the following product categories, such as blocks, Bromides, Carboxes and so on.

Physical properties about Methyl 3-bromo-5-nitrobenzoate are: (1)ACD/LogP: 2.45; (2)ACD/LogD (pH 5.5): 2.448; (3)ACD/LogD (pH 7.4): 2.448; (4)ACD/BCF (pH 5.5): 42.723; (5)ACD/BCF (pH 7.4): 42.723; (6)ACD/KOC (pH 5.5): 511.496; (7)ACD/KOC (pH 7.4): 511.496; (8)#H bond acceptors: 5; (9)#Freely Rotating Bonds: 3; (10)Polar Surface Area: 72.12Ų; (11)Index of Refraction: 1.588; (12)Molar Refractivity: 52.262 cm³; (13)Molar Volume: 155.353 cm³; (14)Polarizability: 20.718x10^-24cm³; (15)Surface Tension: 52.463 dyne/cm; (16)Enthalpy of Vaporization: 56.821 kJ/mol; (17)Boiling Point: 326.042 °C at 760 mmHg.

You can still convert the following datas into molecular structure:
(1)SMILES: COC(=O)c1cc(cc(c1)Br)N(=O)=O
(2)InChI: InChI=1/C8H6BrNO4/c1-14-8(11)5-2-6(9)4-7(3-5)10(12)13/h2-4H,1H3
(3)InChIKey: DDJCZBFPZLYREP-UHFFFAOYAS
(4)Std. InChI: InChI=1S/C8H6BrNO4/c1-14-8(11)5-2-6(9)4-7(3-5)10(12)13/h2-4H,1H3
(5)Std. InChIKey: DDJCZBFPZLYREP-UHFFFAOYSA-N