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2-Iodobenzenesulfonic acid

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Name

2-Iodobenzenesulfonic acid

EINECS N/A
CAS No. 63059-25-6 Density 2.115 g/cm3
PSA 62.75000 LogP 2.61870
Solubility Soluble in water Melting Point 344-345 °C
Formula C6H5IO3S Boiling Point N/A
Molecular Weight 284.074 Flash Point N/A
Transport Information N/A Appearance N/A
Safety Risk Codes N/A
Molecular Structure Molecular Structure of 63059-25-6 (2-IODOBENZENESULFONIC ACID) Hazard Symbols N/A
Synonyms

2-Iodobenzenesulfonicacid;o-Iodobenzenesulfonic acid;

Article Data 11

2-Iodobenzenesulfonic acid Specification

The Benzenesulfonic acid,2-iodo-, with the CAS registry number 63059-25-6, belongs to the product categories of Phenyls & Phenyl-Het; Phenyls & Phenyl-Het. This chemical's molecular formula is C6H5IO3S and molecular weight is 284.0716. Its systematic name is called 2-iodobenzenesulfonic acid.

Physical properties of Benzenesulfonic acid,2-iodo-: (1)ACD/LogP: 1.26; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -2.24; (4)ACD/LogD (pH 7.4): -2.24; (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: 3; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 1; (12)Index of Refraction: 1.667; (13)Molar Refractivity: 50.02 cm3; (14)Molar Volume: 134.2 cm3; (15)Surface Tension: 60.3 dyne/cm; (16)Density: 2.115 g/cm3.

You can still convert the following datas into molecular structure:
(1)SMILES: O=S(=O)(O)c1ccccc1I
(2)InChI: InChI=1/C6H5IO3S/c7-5-3-1-2-4-6(5)11(8,9)10/h1-4H,(H,8,9,10)
(3)InChIKey: ZJTNYBYLBTVLRD-UHFFFAOYAT

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