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| CAS No.: | 59600-76-9 |
|---|---|
| Name: | ZINCON |
| Molecular Structure: | |
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| Formula: | C20H16N4O6S |
| Molecular Weight: | 440.43 |
| Synonyms: | 2-([α-(2-Hydroxy-5-sulfophenylazo)-benzylidene]-hydrazino)-benzoic acid monosodium salt;O-[2-[α-(2-Hydroxy-5-sulfophenylazo)benzylidene]hydrazino]benzoic acid sodium salt;Zincon;2-Carboxy-2'-hydroxy-5'-sulfoformazylbenzene; |
| Density: | 1.48 g/cm3 |
| PSA: | 169.39000 |
| LogP: | 5.04850 |
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- 99170-93-1N-Methyl-2-oxazolamine
- 717878-06-31-(4-fluorophenyl)-4-nitro-1H-imidazole
- 914458-26-7[5-(2-fluorophenyl)-1-pentyl-1H-pyrrol-3-yl]-1-naphthalenyl-Methanone
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- Total:14 Page 1 of 1 1
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Specification
The Benzoicacid, 2-[2-[[2-(2-hydroxy-5-sulfophenyl)hydrazinylidene]phenylmethyl]diazenyl]-, with the CAS registry number 59600-76-9, is also known as 2-([α-(2-Hydroxy-5-sulfophenylazo)-benzylidene]-hydrazino)-benzoic acid monosodium salt. This chemical's molecular formula is C20H16N4O6S and molecular weight is 440.43. What's more, its IUPAC name is 2-[2-[(E)-N-[(Z)-(6-Oxo-3-sulfocyclohexa-2,4-dien-1-ylidene)amino]-C-phenylcarbonimidoyl]hydrazinyl]benzoic acid.
Physical properties of Benzoicacid, 2-[2-[[2-(2-hydroxy-5-sulfophenyl)hydrazinylidene]phenylmethyl]diazenyl]- are: (1)ACD/LogP: 3.34; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): -0.43; (4)ACD/LogD (pH 7.4): -1.12; (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: 10; (10)#H bond donors: 4; (11)#Freely Rotating Bonds: 6; (12)Polar Surface Area: 126.32 Å2; (13)Index of Refraction: 1.681; (14)Molar Refractivity: 112.45 cm3; (15)Molar Volume: 297 cm3; (16)Polarizability: 44.57×10-24cm3; (17)Surface Tension: 65.5 dyne/cm; (18)Density: 1.48 g/cm3.
You can still convert the following datas into molecular structure:
(1)SMILES: O=C3/C=C\C(=C/C3=N/N=C(/c1ccccc1)NNc2ccccc2C(=O)O)S(=O)(=O)O
(2)Std. InChI: InChI=1S/C20H16N4O6S/c25-18-11-10-14(31(28,29)30)12-17(18)22-24-19(13-6-2-1-3-7-13)23-21-16-9-5-4-8-15(16)20(26)27/h1-12,21H,(H,23,24)(H,26,27)(H,28,29,30)/b22-17-
(3)Std. InChIKey: KYUQWEINLPZOTJ-XLNRJJMWSA-N