Name: 6-AMINO-5-BROMOPYRIDINE-3-SULFONIC ACID
SKU: 247582-62-3

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Basic Information

Molecular Structure:
CAS No.:	247582-62-3
Name:	6-AMINO-5-BROMOPYRIDINE-3-SULFONIC ACID
Article Data:	11

Formula:	C₅H₅BrN₂O₃S
Molecular Weight:	253.076
Synonyms:	Pyridin-2-amino-3-bromo-5-sulfonicacid;
Density:	2.042 g/cm³
Melting Point:	>250 °C
PSA:	101.66000
LogP:	2.33500

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Specification

The 3-Pyridinesulfonicacid, 6-amino-5-bromo-, with the CAS registry number 247582-62-3, is also known as 6-Ammonio-5-bromopyridine-3-sulfonate. It belongs to the product categories of Aromatics Compounds; Aromatics; Bases & Related Reagents; Nucleotides; Sulfur & Selenium Compounds; Pyridines. This chemical's molecular formula is C₅H₅BrN₂O₃S and molecular weight is 253.07. Its systematic name is called 6-amino-5-bromopyridinium-3-sulfonate.

Physical properties of 3-Pyridinesulfonicacid, 6-amino-5-bromo-: (1)ACD/LogP: 1.05; (2)ACD/LogD (pH 5.5): -2.45; (3)ACD/LogD (pH 7.4): -2.45; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 1; (7)ACD/KOC (pH 7.4): 1; (8)#H bond acceptors: 5; (9)#H bond donors: 3; (10)#Freely Rotating Bonds: 1; (11)Index of Refraction: 1.669; (12)Molar Refractivity: 46.23 cm³; (13)Molar Volume: 123.8 cm³; (14)Surface Tension: 83.7 dyne/cm; (15)Density: 2.042 g/cm³.

You can still convert the following datas into molecular structure:
(1)SMILES: Brc1cc(c[nH+]c1N)S([O-])(=O)=O
(2)InChI: InChI=1/C5H5BrN2O3S/c6-4-1-3(12(9,10)11)2-8-5(4)7/h1-2H,(H2,7,8)(H,9,10,11)
(3)InChIKey: AQPIHLQSXPSMHZ-UHFFFAOYAC