4-Methoxy-3-(methylsulfonamido)phenylboronic Acid - CAS 879893-57-9
Catalog: |
BB038710 |
Product Name: |
4-Methoxy-3-(methylsulfonamido)phenylboronic Acid |
CAS: |
879893-57-9 |
Synonyms: |
[3-(methanesulfonamido)-4-methoxyphenyl]boronic acid; [3-(methanesulfonamido)-4-methoxyphenyl]boronic acid |
IUPAC Name: | [3-(methanesulfonamido)-4-methoxyphenyl]boronic acid |
Description: | 4-Methoxy-3-(methylsulfonamido)phenylboronic Acid (CAS# 879893-57-9 ) is a useful research chemical. |
Molecular Weight: | 245.06 |
Molecular Formula: | C8H12NO5SB |
Canonical SMILES: | B(C1=CC(=C(C=C1)OC)NS(=O)(=O)C)(O)O |
InChI: | InChI=1S/C8H12BNO5S/c1-15-8-4-3-6(9(11)12)5-7(8)10-16(2,13)14/h3-5,10-12H,1-2H3 |
InChI Key: | ZHHJBHHSAWWTOJ-UHFFFAOYSA-N |
LogP: | -0.09970 |
Publication Number | Title | Priority Date |
AU-2014337064-A1 | Bromodomain inhibitors | 20131018 |
AU-2014337064-B2 | Bromodomain inhibitors | 20131018 |
AU-2019201352-A1 | Bromodomain inhibitors | 20131018 |
CA-2927567-A1 | Bromodomain inhibitors | 20131018 |
CN-105828820-B | Bromodomain inhibitors | 20131018 |
Complexity: | 315 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 245.0529238 |
Formal Charge: | 0 |
Heavy Atom Count: | 16 |
Hydrogen Bond Acceptor Count: | 6 |
Hydrogen Bond Donor Count: | 3 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 245.0529238 |
Rotatable Bond Count: | 4 |
Topological Polar Surface Area: | 104 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
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