5-Acetamido-2-methoxyphenylboronic Acid - CAS 1137339-99-1
Catalog: |
BB003213 |
Product Name: |
5-Acetamido-2-methoxyphenylboronic Acid |
CAS: |
1137339-99-1 |
Synonyms: |
(5-acetamido-2-methoxyphenyl)boronic acid; (5-acetamido-2-methoxyphenyl)boronic acid |
IUPAC Name: | (5-acetamido-2-methoxyphenyl)boronic acid |
Description: | 5-Acetamido-2-methoxyphenylboronic Acid (CAS# 1137339-99-1 ) is a useful research chemical. |
Molecular Weight: | 209.01 |
Molecular Formula: | C9H12NO4B |
Canonical SMILES: | B(C1=C(C=CC(=C1)NC(=O)C)OC)(O)O |
InChI: | InChI=1S/C9H12BNO4/c1-6(12)11-7-3-4-9(15-2)8(5-7)10(13)14/h3-5,13-14H,1-2H3,(H,11,12) |
InChI Key: | XSPLOLPFXRODNU-UHFFFAOYSA-N |
Publication Number | Title | Priority Date |
EP-3350187-A1 | Substituted isoxazolopyridazinones and isothiazolopyridazinones and methods of use | 20150915 |
US-10556914-B2 | Substituted isoxazolopyridazinones and isothiazolopyridazinones and methods of use | 20150915 |
US-2017073353-A1 | Substituted isoxazolopyridazinones and isothiazolopyridazinones and methods of use | 20150915 |
US-2019367531-A1 | Substituted isoxazolopyridazinones and isothiazolopyridazinones and methods of use | 20150915 |
WO-2017046117-A1 | Substituted isoxazolopyridazinones and isothiazolopyridazinones and methods of use | 20150915 |
Complexity: | 224 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 209.085938 |
Formal Charge: | 0 |
Heavy Atom Count: | 15 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 3 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 209.085938 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 78.8 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
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