Benzoicacid, 3-amino-4-bromo-, methyl ester (46064-79-3)

The Methyl 3-amino-4-bromobenzoate with the CAS number 46064-79-3 is also called Benzoicacid, 3-amino-4-bromo-, methyl ester. Its molecular formula is C₈H₈BrNO₂. This chemical is a kind of organics. It should be stored in dry and cool environment.

The properties of the Methyl 3-amino-4-bromobenzoate are: (1)ACD/LogP: 2.25; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.25; (4)ACD/LogD (pH 7.4): 2.25; (5)ACD/BCF (pH 5.5): 30.24; (6)ACD/BCF (pH 7.4): 30.24; (7)ACD/KOC (pH 5.5): 399.37; (8)ACD/KOC (pH 7.4): 399.4; (9)#H bond acceptors: 3; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 29.54Ų; (13)Index of Refraction: 1.601; (14)Molar Refractivity: 49.95 cm³; (15)Molar Volume: 145.7 cm³; (16)Polarizability: 19.8×10^-24cm³; (17)Surface Tension: 50.3 dyne/cm; (18)Enthalpy of Vaporization: 58.03 kJ/mol; (19)Vapour Pressure: 0.000108 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: Brc1ccc(C(=O)OC)cc1N
(2)InChI: InChI=1/C8H8BrNO2/c1-12-8(11)5-2-3-6(9)7(10)4-5/h2-4H,10H2,1H3
(3)InChIKey: GPMSTDWXXKAKCT-UHFFFAOYAB