Basic information
- Name:
1-Naphthalenediazonium,2-hydroxy-6-nitro-4-sulfo-
- Superlist Name:
- 6-Nitro-1-diazo-2-naphthol-4-sulfonic acid
- CAS No.:
50412-00-5
- Molecular Structure:
- Formula:
- C10H6N3O6S
- Molecular Weight:
- 296.23
- Synonyms:
- 1-Diazo-2-naphthol-6-nitro-4-sulfonicacid;2-Hydroxy-6-nitro-4-sulfo-1-naphthalenediazonium;
- EINECS:
- 256-582-3
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Specification
This chemical is called 6-Nitro-1-diazo-2-naphthol-4-sulfonic acid, and its systematic name is 2-Hydroxy-6-nitro-4-sulphonaphthalene-1-diazonium. With the molecular formula of C10H6N3O6S, its molecular weight is 296.23. The CAS registry number of this chemical is 50412-00-5.
Other characteristics of the 6-Nitro-1-diazo-2-naphthol-4-sulfonic acid can be summarised as followings: (1)#H bond acceptors: 9; (2)#H bond donors: 2; (3)#Freely Rotating Bonds: 4; (4)Polar Surface Area: 134.95 Å2; (5)XLogP3-AA: 2.6; (6)Rotatable Bond Count: 1; (7)Tautomer Count: 3; (8)Exact Mass: 295.997731; (9)MonoIsotopic Mass: 295.997731; (10)Topological Polar Surface Area: 157; (11)Heavy Atom Count: 20; (12)Formal Charge: 1; (13)Complexity: 544; (14)Isotope Atom Count: 0; (15)Defined Atom StereoCenter Count: 0; (16)Undefined Atom StereoCenter Count: 0; (17)Defined Bond StereoCenter Count: 0; (18)Undefined Bond StereoCenter Count: 0; (19)Covalently-Bonded Unit Count: 1; (20)Feature 3D Acceptor Count: 5; (21)Feature 3D Donor Count: 1; (22)Feature 3D Anion Count: 2; (23)Feature 3D Ring Count: 2.
You can still convert the following datas into molecular structure:
1.SMILES: O=S(=O)(O)c2c1cc(ccc1c([N+]#N)c(O)c2)[N+]([O-])=O
2.InChI: InChI=1/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)/p+1
3.InChIKey: CCFWJWRQXDDAEJ-IKLDFBCSAI
