5-Hydroxy-3-(4-nitrophenyl)isoxazole - CAS 53949-10-3
Catalog: |
BB028412 |
Product Name: |
5-Hydroxy-3-(4-nitrophenyl)isoxazole |
CAS: |
53949-10-3 |
Synonyms: |
3-(4-nitrophenyl)-2H-isoxazol-5-one; 3-(4-nitrophenyl)-2H-1,2-oxazol-5-one |
IUPAC Name: | 3-(4-nitrophenyl)-2H-1,2-oxazol-5-one |
Description: | 5-Hydroxy-3-(4-nitrophenyl)isoxazole (CAS# 53949-10-3 ) is a useful research chemical. |
Molecular Weight: | 206.15 |
Molecular Formula: | C9H6N2O4 |
Canonical SMILES: | C1=CC(=CC=C1C2=CC(=O)ON2)[N+](=O)[O-] |
InChI: | InChI=1S/C9H6N2O4/c12-9-5-8(10-15-9)6-1-3-7(4-2-6)11(13)14/h1-5,10H |
InChI Key: | RPHPBUPJAHBWNY-UHFFFAOYSA-N |
LogP: | 2.47860 |
Publication Number | Title | Priority Date |
DK-1717231-T3 | Substituted azol compounds and manufacturing and using thereof | 20040220 |
EP-1717231-A1 | Substituted azole compounds and thereof preparation and application | 20040220 |
EP-1717231-B1 | Substituted azole compounds and thereof preparation and application | 20040220 |
JP-2007523097-A | Substituted azole compounds and their production and use | 20040220 |
JP-4682315-B2 | Substituted azole compounds and their production and use | 20040220 |
Complexity: | 313 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 206.03275668 |
Formal Charge: | 0 |
Heavy Atom Count: | 15 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 206.03275668 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 84.2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.8 |
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