The 4-Bromo-3-chloro-2-methylaniline, with the CAS registry number of 627531-47-9, is also known as Benzenamine, 4-bromo-3-chloro-2-methyl-. It belongs to the product categories of Amines; Blocks; Bromides. Its molecular formula is C7H7BrClN and molecular weight is 220.4942. What's more, its IUPAC name is 4-Bromo-3-chloro-2-methylaniline.
Physical properties about the 4-Bromo-3-chloro-2-methylaniline are: (1)ACD/LogP: 3.30; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 1; (4)#H bond donors: 2; (5)#Freely Rotating Bonds: 1; (6)Polar Surface Area: 3.24Å2; (7)Index of Refraction: 1.621; (8)Molar Refractivity: 47.89 cm3; (9)Molar Volume: 136.1 cm3; (10)Surface Tension: 47.3 dyne/cm; (11)Density: 1.619 g/cm3; (12)Flash Point: 128.9 °C; (13)Enthalpy of Vaporization: 52.88 kJ/mol; (14)Boiling Point: 289.5 °C at 760 mmHg; (15)Vapour Pressure: 0.00219 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1) SMILES: Clc1c(c(ccc1Br)N)C
(2) InChI: InChI=1/C7H7BrClN/c1-4-6(10)3-2-5(8)7(4)9/h2-3H,10H2,1H3
(3) InChIKey: IAWSZYHMEPZGKK-UHFFFAOYAD
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