Ethyl 2-amino-5-iodobenzoate (268568-11-2)

The Ethyl 2-amino-5-iodobenzoate, with the CAS registry number 268568-11-2, is also known as Ethyl 5-iodoanthranilate and 2-Amino-5-iodobenzoic acid ethyl ester. It belongs to the product categories of Acids & Esters; Anilines, Amides & Amines; Iodine Compounds. This chemical's molecular formula is C₉H₁₀INO₂ and formula weight is 291.09. What's more, both its IUPAC name and systematic name are the same which is called Ethyl 2-amino-5-iodobenzoate.

Physical properties about this chemical are: (1)ACD/LogP: 4.05; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 4.05; (4)ACD/LogD (pH 7.4): 4.05; (5)#H bond acceptors: 3; (6)#H bond donors: 2; (7)#Freely Rotating Bonds: 4; (8)Polar Surface Area: 52.32 Å²; (9)Index of Refraction: 1.629; (10)Molar Refractivity: 59.8 cm³; (11)Molar Volume: 168.1 cm³; (12)Surface Tension: 52.7 dyne/cm; (13)Density: 1.73 g/cm³; (14)Flash Point: 164.2 °C; (15)Melting Point: 69-71°C; (16)Enthalpy of Vaporization: 59.22 kJ/mol; (17)Boiling Point: 347.9 °C at 760 mmHg; (18)Vapour Pressure: 5.23E-05 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: CCOC(=O)C1=C(C=CC(=C1)I)N
(2)InChI: InChI=1S/C9H10INO2/c1-2-13-9(12)7-5-6(10)3-4-8(7)11/h3-5H,2,11H2,1H3
(3)InChIKey: FPCLHSGOJPEKKE-UHFFFAOYSA-N