551-92-8CAS
93603 Purity
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93603 Purity
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1-Methyl-5-nitro-1H-imidazole-2-methanol
CAS
936-05-0
Catalog Number
ACM936050
Category
Other Products
Molecular Weight
157.13
Molecular Formula
C5H7N3O3
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What is the PubChem CID of 1-Methyl-5-nitro-1H-imidazole-2-methanol?
The PubChem CID of 1-Methyl-5-nitro-1H-imidazole-2-methanol is 557356.
What is the molecular formula of 1-Methyl-5-nitro-1H-imidazole-2-methanol?
The molecular formula of 1-Methyl-5-nitro-1H-imidazole-2-methanol is C5H7N3O3.
What is the molecular weight of 1-Methyl-5-nitro-1H-imidazole-2-methanol?
The molecular weight of 1-Methyl-5-nitro-1H-imidazole-2-methanol is 157.13 g/mol.
What is the IUPAC name of 1-Methyl-5-nitro-1H-imidazole-2-methanol?
The IUPAC name of 1-Methyl-5-nitro-1H-imidazole-2-methanol is (1-methyl-5-nitroimidazol-2-yl)methanol.
What is the InChI of 1-Methyl-5-nitro-1H-imidazole-2-methanol?
The InChI of 1-Methyl-5-nitro-1H-imidazole-2-methanol is InChI=1S/C5H7N3O3/c1-7-4(3-9)6-2-5(7)8(10)11/h2,9H,3H2,1H3.
What is the InChIKey of 1-Methyl-5-nitro-1H-imidazole-2-methanol?
The InChIKey of 1-Methyl-5-nitro-1H-imidazole-2-methanol is JSAQDPJIVQMBAY-UHFFFAOYSA-N.
What is the canonical SMILES of 1-Methyl-5-nitro-1H-imidazole-2-methanol?
The canonical SMILES of 1-Methyl-5-nitro-1H-imidazole-2-methanol is CN1C(=CN=C1CO)[N+](=O)[O-].
What is the CAS number of 1-Methyl-5-nitro-1H-imidazole-2-methanol?
The CAS number of 1-Methyl-5-nitro-1H-imidazole-2-methanol is 936-05-0.
What is the XLogP3 value of 1-Methyl-5-nitro-1H-imidazole-2-methanol?
The XLogP3 value of 1-Methyl-5-nitro-1H-imidazole-2-methanol is -0.4.
How many hydrogen bond acceptors does 1-Methyl-5-nitro-1H-imidazole-2-methanol have?
1-Methyl-5-nitro-1H-imidazole-2-methanol has 4 hydrogen bond acceptors.
Upstream Synthesis Route 1
Reference: [1] Journal of the Chemical Society, Perkin Transactions 1: Organic and Bio-Organic Chemistry (1972-1999), 1987, p. 2819 - 2828
[2] Bioorganic and Medicinal Chemistry Letters, 2011, vol. 21, # 3, p. 1015 - 1018
[3] Journal of Medicinal Chemistry, 2003, vol. 46, # 3, p. 427 - 440
[4] Tetrahedron, 2000, vol. 56, # 4, p. 645 - 657
[5] Patent: WO2014/205414, 2014, A1, . Location in patent: Paragraph 0298
Upstream Synthesis Route 2
7681-76-7
Reference: [1] Patent: WO2006/32921, 2006, A1, . Location in patent: Page/Page column 35-36
Upstream Synthesis Route 3
- 4750-57-6
Reference: [1] Journal of Medicinal Chemistry, 2000, vol. 43, # 11, p. 2258 - 2265
Upstream Synthesis Route 4
Reference: [1]Journal of the Chemical Society. Perkin transactions I,1987,p. 2819 - 2828
Upstream Synthesis Route 5
Reference: [1]Journal of Medicinal Chemistry,2000,vol. 43,p. 2258 - 2265
Upstream Synthesis Route 6
- 7681-76-7
Reference: [1]Current Patent Assignee: ANGIOGENE PHARMACEUTICALS LIMITED; GRAY LABORATORY CANCER RESEARCH TRUST - WO2006/32921, 2006, A1
Location in patent: Page/Page column 35-36
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