2-(2-Methoxy-6-nitrophenyl)acetonitrile - CAS 20876-27-1
Catalog: |
BB016367 |
Product Name: |
2-(2-Methoxy-6-nitrophenyl)acetonitrile |
CAS: |
20876-27-1 |
Synonyms: |
2-(2-methoxy-6-nitrophenyl)acetonitrile; 2-(2-methoxy-6-nitrophenyl)acetonitrile |
IUPAC Name: | 2-(2-methoxy-6-nitrophenyl)acetonitrile |
Description: | 2-(2-Methoxy-6-nitrophenyl)acetonitrile (CAS# 20876-27-1) is a useful research chemical. |
Molecular Weight: | 192.17 |
Molecular Formula: | C9H8N2O3 |
Canonical SMILES: | COC1=CC=CC(=C1CC#N)[N+](=O)[O-] |
InChI: | InChI=1S/C9H8N2O3/c1-14-9-4-2-3-8(11(12)13)7(9)5-6-10/h2-4H,5H2,1H3 |
InChI Key: | ULYNKRWNPIYQCQ-UHFFFAOYSA-N |
MDL: | MFCD07781315 |
LogP: | 2.19268 |
Publication Number | Title | Priority Date |
AU-2009239778-A1 | Pyrrole antifungal agents | 20080424 |
AU-2009239778-B2 | Pyrrole antifungal agents | 20080424 |
CA-2721944-A1 | Pyrrole antifungal agents | 20080424 |
CA-2721944-C | Pyrrole antifungal agents | 20080424 |
DK-2283006-T3 | Pyrrole-based antifungal agents | 20080424 |
Complexity: | 253 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 192.05349212 |
Formal Charge: | 0 |
Heavy Atom Count: | 14 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 192.05349212 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 78.8 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2 |
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