The 3-Iodo-4-methoxyaniline HCl, with the CAS registry number 261173-06-2, is also known as Benzenamine,3-iodo-4-methoxy-, hydrochloride (1:1). It belongs to the product categories of Anilines, Aromatic Amines and Nitro Compounds; Anilines, Amides & Amines; Anisoles, Alkyloxy Compounds & Phenylacetates; Iodine Compounds. This chemical's molecular formula is C7H9ClINO and molecular weight is 285.51. What's more, its systematic name is 3-Iodo-4-methoxy-aniline hydrochloride.
Physical properties of 3-Iodo-4-methoxyaniline HCl are: (1)ACD/LogP: 2.66; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.64; (4)ACD/LogD (pH 7.4): 2.66; (5)#H bond acceptors: 2; (6)#H bond donors: 2; (7)#Freely Rotating Bonds: 2; (8)Polar Surface Area: 35.25 Å2; (9)Flash Point: 165.5 °C; (10)Enthalpy of Vaporization: 60.64 kJ/mol; (11)Boiling Point: 350.1 °C at 760 mmHg; (12)Vapour Pressure: 3.17E-05 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: COc1ccc(cc1I)N.Cl
(2)InChI: InChI=1S/C7H8INO.ClH/c1-10-7-3-2-5(9)4-6(7)8;/h2-4H,9H2,1H3;1H
(3)InChIKey: SLPNYLFTKXGWMH-UHFFFAOYSA-N
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