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2-Pyridinesulfonicacid, 3-nitro-

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Name

2-Pyridinesulfonicacid, 3-nitro-

EINECS N/A
CAS No. 54247-50-6 Density 1.74 g/cm3
PSA 121.46000 LogP 1.84050
Solubility N/A Melting Point N/A
Formula C5H4N2O5S Boiling Point N/A
Molecular Weight 204.163 Flash Point N/A
Transport Information N/A Appearance N/A
Safety Risk Codes N/A
Molecular Structure Molecular Structure of 54247-50-6 (3-NITROPYRIDINE-2-SULFONIC ACID) Hazard Symbols N/A
Synonyms

3-Nitro-2-pyridinesulfonic acid;

 

2-Pyridinesulfonicacid, 3-nitro- Specification

The 2-Pyridinesulfonicacid, 3-nitro-, with the CAS registry number 54247-50-6, belongs to the product category of Pyridines. This chemical's molecular formula is C5H4N2O5S and molecular weight is 204.16. Its systematic name is called 3-nitropyridine-2-sulfonic acid.

Physical properties of 2-Pyridinesulfonicacid, 3-nitro-: (1)ACD/LogP: -0.90; (2)ACD/LogD (pH 5.5): -4.4; (3)ACD/LogD (pH 7.4): -4.4; (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: 7; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 2; (11)Index of Refraction: 1.615; (12)Molar Refractivity: 40.93 cm3; (13)Molar Volume: 117.2 cm3; (14)Surface Tension: 81.9 dyne/cm; (15)Density: 1.74 g/cm3.

You can still convert the following datas into molecular structure:
(1)SMILES: O=S(=O)(O)c1ncccc1[N+]([O-])=O
(2)InChI: InChI=1/C5H4N2O5S/c8-7(9)4-2-1-3-6-5(4)13(10,11)12/h1-3H,(H,10,11,12)
(3)InChIKey: WZBDCLMTYAGWKV-UHFFFAOYAV

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