5-(3-Nitrophenyl)oxazole - CAS 89808-77-5
Catalog: |
BB039609 |
Product Name: |
5-(3-Nitrophenyl)oxazole |
CAS: |
89808-77-5 |
Synonyms: |
5-(3-nitrophenyl)oxazole; 5-(3-nitrophenyl)-1,3-oxazole |
IUPAC Name: | 5-(3-nitrophenyl)-1,3-oxazole |
Description: | 5-(3-Nitrophenyl)oxazole (CAS# 89808-77-5) is a useful research chemical. |
Molecular Weight: | 190.16 |
Molecular Formula: | C9H6N2O3 |
Canonical SMILES: | C1=CC(=CC(=C1)[N+](=O)[O-])C2=CN=CO2 |
InChI: | InChI=1S/C9H6N2O3/c12-11(13)8-3-1-2-7(4-8)9-5-10-6-14-9/h1-6H |
InChI Key: | ALXACHUFQSLYBV-UHFFFAOYSA-N |
Boiling Point: | 351.4 °C at 760 mmHg |
Density: | 1.333 g/cm3 |
MDL: | MFCD00085147 |
LogP: | 2.77300 |
GHS Hazard Statement: | H301 (97.44%): Toxic if swallowed [Danger Acute toxicity, oral] |
Precautionary Statement: | P264, P270, P280, P301+P310, P305+P351+P338, P321, P330, P337+P313, P405, and P501 |
Signal Word: | Danger |
Publication Number | Title | Priority Date |
EP-3144307-A1 | Novel oxazole derivatives that inhibit syk | 20150918 |
EP-3350176-A1 | Novel oxazole derivatives that inhibit syk | 20150918 |
US-10392373-B2 | Oxazole derivatives that inhibit Syk | 20150918 |
US-2019055230-A1 | Novel oxazole derivatives that inhibit syk | 20150918 |
WO-2017046302-A1 | Novel oxazole derivatives that inhibit syk | 20150918 |
Complexity: | 217 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 190.03784206 |
Formal Charge: | 0 |
Heavy Atom Count: | 14 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 190.03784206 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 71.8 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.8 |
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