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CAS No.: | 68061-95-0 |
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Name: | 2-AMINO-4-NITROTOLUENE-5-SULFONIC ACID |
Article Data: | 2 |
Molecular Structure: | |
Formula: | C7H8N2O5S |
Molecular Weight: | 232.21 |
Synonyms: | 2-Amino-4-nitrotoluene-5-sulfonicacid; |
Density: | 1.628 g/cm3 |
PSA: | 134.59000 |
LogP: | 2.91730 |
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The CAS registry number of Benzenesulfonicacid, 4-amino-5-methyl-2-nitro- is 68061-95-0. This chemical is also named as 2-Amino-4-nitrotoluene-5-sulfonic acid. In addition, its molecular formula is C7H8N2O5S and molecular weight is 232.21. Its systematic name and IUPAC name are the same which is called 4-amino-5-methyl-2-nitrobenzenesulfonic acid.
Physical properties about Benzenesulfonicacid, 4-amino-5-methyl-2-nitro- are: (1)ACD/LogP: 0.67; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -2.83; (4)ACD/LogD (pH 7.4): -2.83; (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: 7; (10)#H bond donors: 3; (11)#Freely Rotating Bonds: 3; (12)Index of Refraction: 1.639; (13)Molar Refractivity: 51.37 cm3; (14)Molar Volume: 142.6 cm3; (15)Surface Tension: 77.8 dyne/cm; (16)Density: 1.628 g/cm3.
You can still convert the following datas into molecular structure:
(1)SMILES: [O-][N+](=O)c1cc(N)c(cc1S(=O)(=O)O)C
(2)InChI: InChI=1/C7H8N2O5S/c1-4-2-7(15(12,13)14)6(9(10)11)3-5(4)8/h2-3H,8H2,1H3,(H,12,13,14)
(3)InChIKey: VFGHXLXVWVJPBI-UHFFFAOYAA