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55842-05-2

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Basic Information
CAS No.: 55842-05-2
Name: 2-[(2,6-DICHLOROPHENYL)AMINO]-PYRIDINE-3-SULFONIC ACID
Molecular Structure:
Molecular Structure of 55842-05-2 (2-[(2,6-DICHLOROPHENYL)AMINO]-PYRIDINE-3-SULFONIC ACID)
Formula: C11H8Cl2N2O3S
Molecular Weight: 319.168
Synonyms: 2-[(2,6-Dichlorophenyl)amino]-pyridine-3-sulfonic acid;2-[(2,6-Dichlorophenyl)amino]pyridinium-3-sulfonate;
Density: 1.633 g/cm3
PSA: 87.67000
LogP: 4.53250
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    2-[(2,6-DICHLOROPHENYL)AMINO]-PYRIDINE-3-SULFONIC ACIDAppearance:white crystalline powder Storage:Store in dry, dark and ventilated place Package:25KG drum Application:intermediate Transportation:by air, by sea, by express

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Specification

The 3-Pyridinesulfonicacid, 2-[(2,6-dichlorophenyl)amino]-, with the CAS registry number 55842-05-2, is also known as 2-[(2,6-Dichlorophenyl)amino]-pyridine-3-sulfonic acid. This chemical's molecular formula is C11H8Cl2N2O3S and molecular weight is 319.16. What's more, its systematic name is 2-[(2,6-Dichlorophenyl)amino]pyridinium-3-sulfonate.

Physical properties of 3-Pyridinesulfonicacid, 2-[(2,6-dichlorophenyl)amino]- are: (1)ACD/LogP: 3.50; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.03; (4)ACD/LogD (pH 7.4): 0; (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: 5; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 69.87 Å2; (13)Index of Refraction: 1.669; (14)Molar Refractivity: 72.91 cm3; (15)Molar Volume: 195.3 cm3; (16)Polarizability: 28.9×10-24 cm3; (17)Surface Tension: 72.6 dyne/cm; (18)Density: 1.633 g/cm3.

You can still convert the following datas into molecular structure:
(1)SMILES: [O-]S(=O)(=O)c2ccc[nH+]c2Nc1c(Cl)cccc1Cl
(2)InChI: InChI=1S/C11H8Cl2N2O3S/c12-7-3-1-4-8(13)10(7)15-11-9(19(16,17)18)5-2-6-14-11/h1-6H,(H,14,15)(H,16,17,18)
(3)InChIKey: WLGWVYUEDPSKLN-UHFFFAOYSA-N