3-Methoxy-4-(4-methyl-1-imidazolyl)phenylboronic Acid - CAS 1145786-45-3
Catalog: |
BB003405 |
Product Name: |
3-Methoxy-4-(4-methyl-1-imidazolyl)phenylboronic Acid |
CAS: |
1145786-45-3 |
Synonyms: |
[3-methoxy-4-(4-methyl-1-imidazolyl)phenyl]boronic acid; [3-methoxy-4-(4-methylimidazol-1-yl)phenyl]boronic acid |
IUPAC Name: | [3-methoxy-4-(4-methylimidazol-1-yl)phenyl]boronic acid |
Description: | 3-Methoxy-4-(4-methyl-1-imidazolyl)phenylboronic Acid (CAS# 1145786-45-3) is a useful research chemical. |
Molecular Weight: | 232.04 |
Molecular Formula: | C11H13N2O3B |
Canonical SMILES: | B(C1=CC(=C(C=C1)N2C=C(N=C2)C)OC)(O)O |
InChI: | InChI=1S/C11H13BN2O3/c1-8-6-14(7-13-8)10-4-3-9(12(15)16)5-11(10)17-2/h3-7,15-16H,1-2H3 |
InChI Key: | OMGGGTOQGOMAKG-UHFFFAOYSA-N |
Storage: | Inert atmosphere, 2-8 °C |
MDL: | MFCD19053227 |
LogP: | -0.13090 |
Publication Number | Title | Priority Date |
US-2012135981-A1 | Novel substituted triazole and imidazole derivatives as gamma secretase modulators | 20090715 |
US-8946266-B2 | Substituted triazole and imidazole derivatives as gamma secretase modulators | 20090715 |
US-2010298359-A1 | Gamma secretase modulators | 20071206 |
US-2011015190-A1 | Gamma secretase modulators | 20071206 |
US-8450343-B2 | Gamma secretase modulators | 20071206 |
Complexity: | 255 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 232.1019224 |
Formal Charge: | 0 |
Heavy Atom Count: | 17 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 232.1019224 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 67.5 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
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