(3,5-dinitro-2-methylphenyl)boronic acid - CAS 24341-76-2
Catalog: |
BB018423 |
Product Name: |
(3,5-dinitro-2-methylphenyl)boronic acid |
CAS: |
24341-76-2 |
Synonyms: |
(2-methyl-3,5-dinitrophenyl)boronic acid; (2-methyl-3,5-dinitrophenyl)boronic acid |
IUPAC Name: | (2-methyl-3,5-dinitrophenyl)boronic acid |
Description: | (3,5-dinitro-2-methylphenyl)boronic acid (CAS# 24341-76-2) is a useful research chemical. |
Molecular Weight: | 225.951 |
Molecular Formula: | C7H7BN2O6 |
Canonical SMILES: | B(C1=CC(=CC(=C1C)[N+](=O)[O-])[N+](=O)[O-])(O)O |
InChI: | InChI=1S/C7H7BN2O6/c1-4-6(8(11)12)2-5(9(13)14)3-7(4)10(15)16/h2-3,11-12H,1H3 |
InChI Key: | ZESXGHPFWNSQQV-UHFFFAOYSA-N |
Boiling Point: | 438.5 °C at 760 mmHg |
Density: | 1.53 g/cm3 |
Appearance: | Pale yellow solid |
MDL: | MFCD00757434 |
LogP: | 0.53760 |
Publication Number | Title | Priority Date |
AU-2008216382-A1 | Novel inhibitors hepatitis C virus replication | 20070212 |
CA-2676906-A1 | Novel inhibitors hepatitis c virus replication | 20070212 |
EP-2134683-A2 | Novel inhibitors hepatitis c virus replication | 20070212 |
JP-2010518125-A | Novel inhibitor of hepatitis C virus replication | 20070212 |
US-2009047246-A1 | Novel inhibitors of hepatitis c virus replication | 20070212 |
Complexity: | 288 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 226.0397161 |
Formal Charge: | 0 |
Heavy Atom Count: | 16 |
Hydrogen Bond Acceptor Count: | 6 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 226.0397161 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 132 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
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