Specification: |
The 6-Nitro-1,2,4-diazo acid, its cas register number is 5366-84-7. It also can be called as 6-Nitro-1-diazo-2-naphthol-4-sulphonic acid and the IUPAC name about this chemical is 4-Diazonio-3-hydroxy-7-nitronaphthalene-1-sulfonate. It belongs to the Intermediates of Dyes and Pigments. There are some other registry number include 101667-26-9, 117255-15-9, 123216-22-8, 155668-12-5, 172683-35-1, 5366-84-7, 65180-76-9 and 92815-48-0.
Physical properties about 6-Nitro-1,2,4-diazo acid are: (1)#H bond acceptors: 9; (2)#H bond donors: 1; (3)#Freely Rotating Bonds: 2; (4)Polar Surface Area: 136.49Å2; (5)Index of Refraction: 1.757; (6)Molar Refractivity: 66.33 cm3; (7)Molar Volume: 161.5 cm3; (8)Polarizability: 26.29x10-24cm3; (9)Surface Tension: 102.1 dyne/cm
You can still convert the following datas into molecular structure:
(1)Canonical SMILES: C1=CC2=C(C(=CC(=C2C=C1[N+](=O)[O-])S(=O)(=O)[O-])O)[N+]#N
(2)InChI: InChI=1S/C10H5N3O6S/c11-12-10-6-2-1-5(13(15)16)3-7(6)9(4-8(10)14)20(17,18)19/h1-4H,(H-,14,17,18,19)
(3)InChIKey: CCFWJWRQXDDAEJ-UHFFFAOYSA-N
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