Methyl 5-Nitro-1H-benzimidazole-2-carboxylate - CAS 93521-65-4
Catalog: |
BB040951 |
Product Name: |
Methyl 5-Nitro-1H-benzimidazole-2-carboxylate |
CAS: |
93521-65-4 |
Synonyms: |
6-nitro-1H-benzimidazole-2-carboxylic acid methyl ester; methyl 6-nitro-1H-benzimidazole-2-carboxylate |
IUPAC Name: | methyl 6-nitro-1H-benzimidazole-2-carboxylate |
Description: | Methyl 5-Nitro-1H-benzimidazole-2-carboxylate (CAS# 93521-65-4) is a useful research chemical. |
Molecular Weight: | 221.17 |
Molecular Formula: | C9H7N3O4 |
Canonical SMILES: | COC(=O)C1=NC2=C(N1)C=C(C=C2)[N+](=O)[O-] |
InChI: | InChI=1S/C9H7N3O4/c1-16-9(13)8-10-6-3-2-5(12(14)15)4-7(6)11-8/h2-4H,1H3,(H,10,11) |
InChI Key: | YXDYHFYQRLFAFN-UHFFFAOYSA-N |
Storage: | Sealed in dry, Room Temperature |
LogP: | 1.78090 |
Publication Number | Title | Priority Date |
EP-3339305-A1 | Indole derivative, preparation method thereof, and use thereof in pharmaceutical drug | 20150820 |
JP-2018528193-A | Indole derivatives, methods for their preparation and their use in medicine | 20150820 |
JP-6549311-B2 | Indole derivatives, process for their preparation and their use in medicine | 20150820 |
TW-201806945-A | Terpenoid derivatives, preparation method thereof and use thereof in medicine | 20150820 |
US-10214515-B2 | Substituted pyrazoles as inhibitors of fibroblast growth factor receptor | 20150820 |
Complexity: | 304 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 221.04365571 |
Formal Charge: | 0 |
Heavy Atom Count: | 16 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 221.04365571 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 101 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.5 |
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