Methyl 4-Nitroindole-3-carboxylate - CAS 109175-08-8
Catalog: |
BB002386 |
Product Name: |
Methyl 4-Nitroindole-3-carboxylate |
CAS: |
109175-08-8 |
Synonyms: |
4-nitro-1H-indole-3-carboxylic acid methyl ester; methyl 4-nitro-1H-indole-3-carboxylate |
IUPAC Name: | methyl 4-nitro-1H-indole-3-carboxylate |
Description: | Methyl 4-Nitroindole-3-carboxylate (CAS# 109175-08-8 ) is a useful research chemical. |
Molecular Weight: | 220.18 |
Molecular Formula: | C10H8N2O4 |
Canonical SMILES: | COC(=O)C1=CNC2=C1C(=CC=C2)[N+](=O)[O-] |
InChI: | InChI=1S/C10H8N2O4/c1-16-10(13)6-5-11-7-3-2-4-8(9(6)7)12(14)15/h2-5,11H,1H3 |
InChI Key: | NIIPWVYXFPJSDR-UHFFFAOYSA-N |
LogP: | 2.38590 |
Publication Number | Title | Priority Date |
JP-2009235057-A | Novel indole derivatives having angiogenesis inhibitory activity | 20071031 |
CA-2681124-A1 | New substituted arylsulphonylglycines, the preparation thereof and the use thereof as pharmaceutical compositions | 20070316 |
DE-102007012284-A1 | Novel substituted arylsulfonylglycines, their preparation and their use as pharmaceuticals | 20070316 |
EP-2125718-A2 | New substituted arylsulphonylglycines, the preparation thereof and the use thereof as pharmaceutical compositions | 20070316 |
EP-2125718-B1 | New substituted arylsulphonylglycines, the preparation thereof and the use thereof as pharmaceutical compositions | 20070316 |
Complexity: | 302 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 220.04840674 |
Formal Charge: | 0 |
Heavy Atom Count: | 16 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 220.04840674 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 87.9 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.7 |
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