2-(Cyanomethyl)-5-nitrobenzimidazole - CAS 33137-87-0
Catalog: |
BB021573 |
Product Name: |
2-(Cyanomethyl)-5-nitrobenzimidazole |
CAS: |
33137-87-0 |
Synonyms: |
2-(6-nitro-1H-benzimidazol-2-yl)acetonitrile; 2-(6-nitro-1H-benzimidazol-2-yl)acetonitrile |
IUPAC Name: | 2-(6-nitro-1H-benzimidazol-2-yl)acetonitrile |
Description: | 2-(Cyanomethyl)-5-nitrobenzimidazole (CAS# 33137-87-0 ) is a useful research chemical. |
Molecular Weight: | 202.17 |
Molecular Formula: | C9H6N4O2 |
Canonical SMILES: | C1=CC2=C(C=C1[N+](=O)[O-])NC(=N2)CC#N |
InChI: | InChI=1S/C9H6N4O2/c10-4-3-9-11-7-2-1-6(13(14)15)5-8(7)12-9/h1-2,5H,3H2,(H,11,12) |
InChI Key: | SGTFZCBIJHVSNT-UHFFFAOYSA-N |
LogP: | 2.06038 |
Publication Number | Title | Priority Date |
CN-101309977-A | Benzopyran colorants, method of manufacture, and method of use | 20051128 |
CN-101309977-B | Benzopyran colorants, method of manufacture, and method of use | 20051128 |
EP-1954764-A2 | Benzopyran colorants, method of manufacture, and method of use | 20051128 |
EP-1954764-B1 | Benzopyran colorants, method of manufacture, and method of use | 20051128 |
JP-2009517392-A | Benzopyran colorants, methods of manufacture, and methods of use | 20051128 |
Complexity: | 305 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 202.04907545 |
Formal Charge: | 0 |
Heavy Atom Count: | 15 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 202.04907545 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 98.3 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.5 |
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