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6406-21-9

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Basic Information
CAS No.: 6406-21-9
Name: 2-Amino-3,5-dichlorobenzenesulfonic acid
Molecular Structure:
Molecular Structure of 6406-21-9 (2-Amino-3,5-dichlorobenzenesulfonic acid)
Formula: C6H5Cl2NO3S
Molecular Weight: 242.083
Synonyms: 2-Amino-3,5-dichlorobenzenesulfonicacid;4,6-Dichloroaniline-2-sulfonic acid;
Density: 1.749 g/cm3
PSA: 88.77000
LogP: 3.48430
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Specification

The CAS registry number of Benzenesulfonicacid, 2-amino-3,5-dichloro- is 6406-21-9. This chemical is also named as 2,4-Dichloroaniline-6-sulfonic acid. In addition, its molecular formula is C6H5Cl2NO3S and molecular weight is 242.0798. Its systematic name and IUPAC name are the same which is called 2-amino-3,5-dichlorobenzenesulfonic acid.

Physical properties about Benzenesulfonicacid, 2-amino-3,5-dichloro- are: (1)ACD/LogP: 2.63; (2)# of Rule of 5 Violations: 0; (3)ACD/BCF (pH 5.5): 1; (4)ACD/BCF (pH 7.4): 1; (5)ACD/KOC (pH 5.5): 1; (6)ACD/KOC (pH 7.4): 1; (7)#H bond acceptors: 4; (8)#H bond donors: 3; (9)#Freely Rotating Bonds: 2; (10)Index of Refraction: 1.648; (11)Molar Refractivity: 50.37 cm3; (12)Molar Volume: 138.3 cm3; (13)Surface Tension: 71.5 dyne/cm; (14)Density: 1.749 g/cm3.

You can still convert the following datas into molecular structure:
(1)SMILES: Nc1c(cc(Cl)cc1Cl)S(O)(=O)=O
(2)InChI: InChI=1/C6H5Cl2NO3S/c7-3-1-4(8)6(9)5(2-3)13(10,11)12/h1-2H,9H2,(H,10,11,12)
(3)InChIKey: UUBOVWHMFBDDEN-UHFFFAOYAT