4-Methyl-7-nitro-1H-indole-3-carbonitrile - CAS 289483-82-5
Catalog: |
BB020023 |
Product Name: |
4-Methyl-7-nitro-1H-indole-3-carbonitrile |
CAS: |
289483-82-5 |
Synonyms: |
4-methyl-7-nitro-1H-indole-3-carbonitrile; 4-methyl-7-nitro-1H-indole-3-carbonitrile |
IUPAC Name: | 4-methyl-7-nitro-1H-indole-3-carbonitrile |
Description: | 4-Methyl-7-nitro-1H-indole-3-carbonitrile (CAS# 289483-82-5 ) is a useful research chemical. |
Molecular Weight: | 201.18 |
Molecular Formula: | C10H7N3O2 |
Canonical SMILES: | CC1=C2C(=CNC2=C(C=C1)[N+](=O)[O-])C#N |
InChI: | InChI=1S/C10H7N3O2/c1-6-2-3-8(13(14)15)10-9(6)7(4-11)5-12-10/h2-3,5,12H,1H3 |
InChI Key: | XDNBPEYPQDBCIK-UHFFFAOYSA-N |
LogP: | 2.77938 |
Publication Number | Title | Priority Date |
AU-2004272400-A1 | Crystal of sulfonamide-containing indole compound and process for producing the same | 20030910 |
AU-2004272400-B2 | Crystal of sulfonamide-containing indole compound and process for producing the same | 20030910 |
CA-2536995-C | Crystalline sulfonamide-containing indole compound and process for preparing the same | 20030910 |
EP-1666463-A1 | Crystal of sulfonamide-containing indole compound and process for producing the same | 20030910 |
EP-1666463-B1 | Crystal of sulfonamide-containing indole compound and process for producing the same | 20030910 |
Complexity: | 316 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 201.053826475 |
Formal Charge: | 0 |
Heavy Atom Count: | 15 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 201.053826475 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 85.4 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2 |
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