2-Methoxy-4-nitrophenylboronic Acid - CAS 949892-13-1
Catalog: |
BB041594 |
Product Name: |
2-Methoxy-4-nitrophenylboronic Acid |
CAS: |
949892-13-1 |
Synonyms: |
(2-methoxy-4-nitrophenyl)boronic acid; (2-methoxy-4-nitrophenyl)boronic acid |
IUPAC Name: | (2-methoxy-4-nitrophenyl)boronic acid |
Description: | 2-Methoxy-4-nitrophenylboronic Acid (CAS# 949892-13-1 ) is a useful research chemical. |
Molecular Weight: | 196.95 |
Molecular Formula: | C7H8NO5B |
Canonical SMILES: | B(C1=C(C=C(C=C1)[N+](=O)[O-])OC)(O)O |
InChI: | InChI=1S/C7H8BNO5/c1-14-7-4-5(9(12)13)2-3-6(7)8(10)11/h2-4,10-11H,1H3 |
InChI Key: | FUPWIVCAJNLSGK-UHFFFAOYSA-N |
LogP: | -0.19360 |
Publication Number | Title | Priority Date |
EP-1995242-A1 | Novel 1,2,3,4-tetrahydroquinoxaline derivative having glucocorticoid receptor binding activity | 20060314 |
ES-2396711-T3 | New 1,2,3,4-tetrahydroquinoxaline derivative that has glucocorticoid receptor binding activity | 20060314 |
US-2009111807-A1 | Novel 1,2,3,4-Tetrahydroquinoxaline Derivative Having Glucocorticoid Receptor Binding Activity | 20060314 |
US-2013303537-A1 | 1,2,3,4-tetrahydroquinoxaline compounds having glucocorticoid receptor binding activity | 20060314 |
US-8551991-B2 | 1,2,3,4-tetrahydroquinoxaline derivative having glucocorticoid receptor binding activity | 20060314 |
Complexity: | 207 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 197.0495525 |
Formal Charge: | 0 |
Heavy Atom Count: | 14 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 197.0495525 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 95.5 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
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