CAS
89898-75-9 Purity
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89898-75-9 Purity
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![Cuprate(3-),[m-[8-[[4'-[[6-(benzoylamino)-1-hydroxy-3-sulfo-2-naphthalenyl]azo]-3,3'-dihydroxy[1,1'-biphenyl]-4-yl]azo]-7-hydroxy-1,3-naphthalenedisulfonato(7-)]]di-,trisodium(9ci)](https://resource.alfa-chemistry.com/structure/89899-28-5.gif)
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7-NITRO-2(1H)-QUINOXALINONE
CAS
89898-96-4
Catalog Number
ACM89898964
Category
Other Products
Molecular Formula
C8H5N3O3
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- Synthetic Use
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What is the molecular formula of 7-NITRO-2(1H)-QUINOXALINONE?
The molecular formula of 7-NITRO-2(1H)-QUINOXALINONE is C8H5N3O3.
What is the molecular weight of 7-NITRO-2(1H)-QUINOXALINONE?
The molecular weight of 7-NITRO-2(1H)-QUINOXALINONE is 191.14 g/mol.
What is the IUPAC Name of 7-NITRO-2(1H)-QUINOXALINONE?
The IUPAC Name of 7-NITRO-2(1H)-QUINOXALINONE is 7-nitro-1H-quinoxalin-2-one.
What is the Canonical SMILES of 7-NITRO-2(1H)-QUINOXALINONE?
The Canonical SMILES of 7-NITRO-2(1H)-QUINOXALINONE is C1=CC2=C(C=C1[N+](=O)[O-])NC(=O)C=N2.
What is the InChIKey of 7-NITRO-2(1H)-QUINOXALINONE?
The InChIKey of 7-NITRO-2(1H)-QUINOXALINONE is CPIFPSDSDMLFMK-UHFFFAOYSA-N.
What is the CAS number of 7-NITRO-2(1H)-QUINOXALINONE?
The CAS number of 7-NITRO-2(1H)-QUINOXALINONE is 89898-96-4.
What is the XLogP3 value of 7-NITRO-2(1H)-QUINOXALINONE?
The XLogP3 value of 7-NITRO-2(1H)-QUINOXALINONE is 0.6.
How many hydrogen bond acceptors are there in 7-NITRO-2(1H)-QUINOXALINONE?
There are 4 hydrogen bond acceptors in 7-NITRO-2(1H)-QUINOXALINONE.
What is the topological polar surface area of 7-NITRO-2(1H)-QUINOXALINONE?
The topological polar surface area of 7-NITRO-2(1H)-QUINOXALINONE is 87.3 Å2.
Is 7-NITRO-2(1H)-QUINOXALINONE a canonicalized compound according to PubChem?
Yes, 7-NITRO-2(1H)-QUINOXALINONE is a canonicalized compound according to PubChem.
Upstream Synthesis Route 1
- 1196-57-2
- 89898-96-4
Reference: [1] Chemical and Pharmaceutical Bulletin, 2007, vol. 55, # 2, p. 255 - 267
[2] Yakugaku Zasshi, 1959, vol. 79, p. 658[3] Chem.Abstr., 1959, p. 21979
Upstream Synthesis Route 2
- 1196-57-2
- 89898-96-4
Reference: [1]ChemMedChem,2019,vol. 14,p. 1933 - 1939
[2]Chemical and Pharmaceutical Bulletin,2007,vol. 55,p. 255 - 267
[3]Yakugaku Zasshi/Journal of the Pharmaceutical Society of Japan,1959,vol. 79,p. 658
Chem.Abstr.,1959,p. 21979
Upstream Synthesis Route 3
- 55686-94-7
- 89898-96-4
Reference: [1]Journal of the Chemical Society,1956,p. 26,27
[2]Justus Liebigs Annalen der Chemie,1953,vol. 579,p. 212,220
Downstream Synthesis Route 1
- 89898-96-4
- 55686-94-7
Reference: [1] Journal of the Brazilian Chemical Society, 2017, vol. 28, # 10, p. 1874 - 1878
[2] Tetrahedron Letters, 1991, vol. 32, # 10, p. 1311 - 1314
[3] Journal of Medicinal Chemistry, 2016, vol. 59, # 13, p. 6169 - 6186
[4] Journal of Medicinal Chemistry, 2011, vol. 54, # 13, p. 4508 - 4522
Downstream Synthesis Route 2
- 89898-96-4
- 55686-94-7
Reference: [1] Yakugaku Zasshi, 1959, vol. 79, p. 658[2] Chem.Abstr., 1959, p. 21979
[3] Justus Liebigs Annalen der Chemie, 1953, vol. 579, p. 212,220
[4] Journal of the Chemical Society, 1956, p. 26,27
[5] Journal of the Chemical Society, 1961, p. 1246,1250
Downstream Synthesis Route 3
- 89898-96-4
- 98555-00-1
Reference: [1]ChemMedChem,2019,vol. 14,p. 1933 - 1939
[2]Yakugaku Zasshi/Journal of the Pharmaceutical Society of Japan,1959,vol. 79,p. 658
Chem.Abstr.,1959,p. 21979
[3]Journal of the Chemical Society,1956,p. 26,27
* For details of the synthesis route, please refer to the original source to ensure accuracy.
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