6-Methyl-5-nitroindole - CAS 1003858-64-7
Catalog: |
BB000212 |
Product Name: |
6-Methyl-5-nitroindole |
CAS: |
1003858-64-7 |
Synonyms: |
6-methyl-5-nitro-1H-indole; 6-methyl-5-nitro-1H-indole |
IUPAC Name: | 6-methyl-5-nitro-1H-indole |
Description: | 6-Methyl-5-nitroindole (CAS# 1003858-64-7 ) is a useful research chemical. |
Molecular Weight: | 176.17 |
Molecular Formula: | C9H8N2O2 |
Canonical SMILES: | CC1=C(C=C2C=CNC2=C1)[N+](=O)[O-] |
InChI: | InChI=1S/C9H8N2O2/c1-6-4-8-7(2-3-10-8)5-9(6)11(12)13/h2-5,10H,1H3 |
InChI Key: | QFYZRVODMHFKKF-UHFFFAOYSA-N |
LogP: | 2.90770 |
Publication Number | Title | Priority Date |
AU-2013339167-A1 | Novel amine derivative or salt thereof | 20121031 |
AU-2013339167-B2 | Novel amine derivative or salt thereof | 20121031 |
CA-2890003-A1 | Amine derivatives or salt thereof as tnf"alpha"inhibitors | 20121031 |
CN-104870422-A | Novel amine derivative or salt thereof | 20121031 |
CN-104870422-B | Amine derivative or its salt | 20121031 |
Complexity: | 214 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 176.058577502 |
Formal Charge: | 0 |
Heavy Atom Count: | 13 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 176.058577502 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 61.6 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.2 |
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