Benzoic acid,4-(acetylamino)-5-bromo-2-methoxy-, methyl ester (4093-34-9)

The CAS register number of Methyl 4-acetamido-5-bromo-2-methoxybenzoate is 4093-34-9. It also can be called as Benzoic acid,4-(acetylamino)-5-bromo-2-methoxy-, methyl ester and the IUPAC name about this chemical is methyl 4-acetamido-5-bromo-2-methoxybenzoate. The molecular formula about this chemical is C₁₁H₁₂BrNO₄ and the molecular weight is 302.12.

Physical properties about Methyl 4-acetamido-5-bromo-2-methoxybenzoate are: (1)ACD/LogP: 2.31; (2)ACD/LogD (pH 5.5): 2.31; (3)ACD/LogD (pH 7.4): 2.31; (4)ACD/BCF (pH 5.5): 33.55; (5)ACD/BCF (pH 7.4): 33.55; (6)ACD/KOC (pH 5.5): 430.26; (7)ACD/KOC (pH 7.4): 430.26; (8)#H bond acceptors: 5; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 4; (11)Polar Surface Area: 55.84Ų; (12)Index of Refraction: 1.579; (13)Molar Refractivity: 66.66 cm³; (14)Molar Volume: 200.5 cm³; (15)Polarizability: 26.42x10^-24cm³; (16)Surface Tension: 46.2 dyne/cm; (17)Enthalpy of Vaporization: 70.84 kJ/mol; (18)Boiling Point: 449.7 °C at 760 mmHg; (19)Vapour Pressure: 2.81E-08 mmHg at 25°C.

Uses of Methyl 4-acetamido-5-bromo-2-methoxybenzoate: it can be used to produce C₁₂H₁₈BrN₃O₂*2ClH with N-ethyl-ethane-1,2-diamine. This reaction will need reagent aluminum isopropylate. The yield is about 45%.

You can still convert the following datas into molecular structure:
(1)SMILES: Brc1cc(c(OC)cc1NC(=O)C)C(=O)OC
(2)InChI: InChI=1/C11H12BrNO4/c1-6(14)13-9-5-10(16-2)7(4-8(9)12)11(15)17-3/h4-5H,1-3H3,(H,13,14)
(3)InChIKey: FCOKFEDHOPDIEH-UHFFFAOYAU
(4)Std. InChI: InChI=1S/C11H12BrNO4/c1-6(14)13-9-5-10(16-2)7(4-8(9)12)11(15)17-3/h4-5H,1-3H3,(H,13,14)
(5)Std. InChIKey: FCOKFEDHOPDIEH-UHFFFAOYSA-N