The 3-Bromo-5-methylaniline hydrochloride, with the CAS registry number 957034-79-6, is also known as 3-Bromo-5-methylbenzenamine hydrochloride. It belongs to the product categories of Amines; Blocks; Bromides. This chemical's molecular formula is C7H8BrN.HCl and molecular weight is 222.51. What's more, its systematic name is 3-Bromo-5-methylaniline hydrochloride (1:1).
Physical properties of 3-Bromo-5-methylaniline hydrochloride are: (1)ACD/LogP: 2.56; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.55; (4)ACD/LogD (pH 7.4): 2.56; (5)#H bond acceptors: 1; (6)#H bond donors: 2; (7)#Freely Rotating Bonds: 1; (8)Polar Surface Area: 26.02 Å2; (9)Flash Point: 132.4 °C; (10)Enthalpy of Vaporization: 54.57 kJ/mol; (11)Boiling Point: 295.3 °C at 760 mmHg; (12)Vapour Pressure: 0.00116 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: Cc1cc(cc(c1)Br)N.Cl
(2)Std. InChI: InChI=1S/C7H8BrN.ClH/c1-5-2-6(8)4-7(9)3-5;/h2-4H,9H2,1H3;1H
(3)Std. InChIKey: ZGMJEUXFWOIXOG-UHFFFAOYSA-N
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