This chemical is called Benzenesulfonic acid, 2-amino-5-chloro-4-ethyl-, and its systematic name is 2-Amino-5-chloro-4-ethylbenzenesulfonic acid. With the molecular formula of C8H10ClNO3S, its molecular weight is 235.69. The CAS registry number of this chemical is 88-56-2. Additionally, its product category is Intermediates of Dyes and Pigments.
Other characteristics of the Benzenesulfonic acid, 2-amino-5-chloro-4-ethyl- can be summarised as followings: (1)ACD/LogP: 2.27; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -1.23; (4)ACD/LogD (pH 7.4): -1.23; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 4; (10)#H bond donors: 3; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 54.99 Å2; (13)Index of Refraction: 1.604; (14)Molar Refractivity: 54.8 cm3; (15)Molar Volume: 159.2 cm3; (16)Polarizability: 21.72×10-24cm3; (17)Surface Tension: 60.2 dyne/cm; (18)Density: 1.479 g/cm3.
You can still convert the following datas into molecular structure:
1.SMILES: Clc1cc(c(cc1CC)N)S(=O)(=O)O
2.InChI: InChI=1/C8H10ClNO3S/c1-2-5-3-7(10)8(4-6(5)9)14(11,12)13/h3-4H,2,10H2,1H3,(H,11,12,13)
3.InChIKey: DJOIZOKQHNHZPN-UHFFFAOYAI
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