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CAS No.: | 63059-25-6 |
---|---|
Name: | 2-IODOBENZENESULFONIC ACID |
Article Data: | 11 |
Molecular Structure: | |
Formula: | C6H5IO3S |
Molecular Weight: | 284.074 |
Synonyms: | 2-Iodobenzenesulfonicacid;o-Iodobenzenesulfonic acid; |
Density: | 2.115 g/cm3 |
Melting Point: | 344-345 °C |
Solubility: | Soluble in water |
PSA: | 62.75000 |
LogP: | 2.61870 |
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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