6-Methoxy-3-nitropyridine-2-acetonitrile - CAS 111795-99-4
Catalog: |
BB002807 |
Product Name: |
6-Methoxy-3-nitropyridine-2-acetonitrile |
CAS: |
111795-99-4 |
Synonyms: |
2-(6-methoxy-3-nitropyridin-2-yl)acetonitrile |
IUPAC Name: | 2-(6-methoxy-3-nitropyridin-2-yl)acetonitrile |
Description: | 6-Methoxy-3-nitropyridine-2-acetonitrile (CAS# 111795-99-4) is a useful research chemical. |
Molecular Weight: | 193.16 |
Molecular Formula: | C8H7N3O3 |
Canonical SMILES: | COC1=NC(=C(C=C1)[N+](=O)[O-])CC#N |
InChI: | InChI=1S/C8H7N3O3/c1-14-8-3-2-7(11(12)13)6(10-8)4-5-9/h2-3H,4H2,1H3 |
InChI Key: | KOOPAOCWSWOMQI-UHFFFAOYSA-N |
Boiling Point: | 345.6 °C at 760 mmHg |
Purity: | 95 % |
Density: | 1.334 g/cm3 |
LogP: | 1.58768 |
GHS Hazard Statement: | H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral] |
Precautionary Statement: | P264, P270, P280, P301+P310, P305+P351+P338, P310, P321, P330, P405, and P501 |
Signal Word: | Danger |
Publication Number | Title | Priority Date |
EP-2768499-A1 | Indomethacin analogs for the treatment of castrate-resistant prostate cancer | 20111017 |
EP-3078374-A1 | Indomethacin analogs for the treatment of castrate-resistant prostate cancer | 20111017 |
EP-3078374-B1 | Indomethacin analogs for the treatment of castrate-resistant prostate cancer | 20111017 |
US-10398678-B2 | Indomethacin analogs for the treatment of castrate-resistant prostate cancer | 20111017 |
US-2014371261-A1 | Indomethacin analogs for the treatment of castrate-resistant prostate cancer | 20111017 |
Complexity: | 254 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 193.04874109 |
Formal Charge: | 0 |
Heavy Atom Count: | 14 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 193.04874109 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 91.7 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.7 |
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