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CAS No.: | 952-10-3 |
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Name: | 2,3-DIOXO-1,2,3,4-TETRAHYDROQUINOXALINE-6-SULFONYL CHLORIDE |
Article Data: | 7 |
Molecular Structure: | |
Formula: | C8H5ClN2O4S |
Molecular Weight: | 260.658 |
Synonyms: | 6-Chlorosulfonyl-1,4-dihydro-2,3-quinoxalinedione; |
Density: | 1.649 g/cm3 |
PSA: | 108.24000 |
LogP: | 1.22470 |
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The 2,3-Dioxo-1,2,3,4-tetrahydroquinoxaline-6-sulfonyl chloride, with the CAS registry number 952-10-3, is also known as 6-Quinoxalinesulfonyl chloride, 1,2,3,4-tetrahydro-2,3-dioxo-. This chemical's molecular formula is C8H5ClN2O4S and molecular weight is 260.6543. Its IUPAC name is called 2,3-dioxo-1,4-dihydroquinoxaline-6-sulfonyl chloride.
Physical properties of 2,3-Dioxo-1,2,3,4-tetrahydroquinoxaline-6-sulfonyl chloride: (1)ACD/LogP: -0.27; (2)ACD/BCF (pH 5.5): 1; (3)ACD/BCF (pH 7.4): 1; (4)ACD/KOC (pH 5.5): 16.95; (5)ACD/KOC (pH 7.4): 16.16; (6)#H bond acceptors: 6; (7)#H bond donors: 2; (8)#Freely Rotating Bonds: 1; (9)Index of Refraction: 1.615; (10)Molar Refractivity: 55.14 cm3; (11)Molar Volume: 157.9 cm3; (12)Surface Tension: 58 dyne/cm; (13)Density: 1.649 g/cm3.
You can still convert the following datas into molecular structure:
(1)Canonical SMILES: C1=CC2=C(C=C1S(=O)(=O)Cl)NC(=O)C(=O)N2
(2)InChI: InChI=1S/C8H5ClN2O4S/c9-16(14,15)4-1-2-5-6(3-4)11-8(13)7(12)10-5/h1-3H,(H,10,12)(H,11,13)
(3)InChIKey: VJHXFHCNOUEKQY-UHFFFAOYSA-N