5-(3-Nitrophenyl)isoxazole-3-carboxylic Acid - CAS 199601-80-4
Catalog: |
BB015410 |
Product Name: |
5-(3-Nitrophenyl)isoxazole-3-carboxylic Acid |
CAS: |
199601-80-4 |
Synonyms: |
5-(3-nitrophenyl)-3-isoxazolecarboxylic acid; 5-(3-nitrophenyl)-1,2-oxazole-3-carboxylic acid |
IUPAC Name: | 5-(3-nitrophenyl)-1,2-oxazole-3-carboxylic acid |
Description: | 5-(3-Nitrophenyl)isoxazole-3-carboxylic Acid (CAS# 199601-80-4) is a useful research chemical. |
Molecular Weight: | 234.17 |
Molecular Formula: | C10H6N2O5 |
Canonical SMILES: | C1=CC(=CC(=C1)[N+](=O)[O-])C2=CC(=NO2)C(=O)O |
InChI: | InChI=1S/C10H6N2O5/c13-10(14)8-5-9(17-11-8)6-2-1-3-7(4-6)12(15)16/h1-5H,(H,13,14) |
InChI Key: | UADDGBIOHFWIDV-UHFFFAOYSA-N |
LogP: | 2.47120 |
Publication Number | Title | Priority Date |
EP-2170876-A2 | Pharmaceutical composition for preventintion and treatment of restenosis comprising isoxazole derivatives | 20070629 |
EP-2170876-B1 | Pharmaceutical composition for prevention and treatment of restenosis comprising isoxazole derivatives | 20070629 |
JP-2010532344-A | Pharmaceutical composition for prevention and treatment of restenosis, comprising isoxazole derivative | 20070629 |
JP-5311075-B2 | Pharmaceutical composition for prevention and treatment of restenosis, comprising isoxazole derivative | 20070629 |
KR-101464302-B1 | Pharmaceutical composition for prevention and treatment of vascular restenosis comprising isosazole derivative | 20070629 |
Complexity: | 316 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 234.0276713 |
Formal Charge: | 0 |
Heavy Atom Count: | 17 |
Hydrogen Bond Acceptor Count: | 6 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 234.0276713 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 109 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.7 |
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