4-(Methylsulfonyl)-2-(trifluoromethyl)phenylboronic Acid - CAS 1072946-16-7
Catalog: |
BB002030 |
Product Name: |
4-(Methylsulfonyl)-2-(trifluoromethyl)phenylboronic Acid |
CAS: |
1072946-16-7 |
Synonyms: |
[4-methylsulfonyl-2-(trifluoromethyl)phenyl]boronic acid; [4-methylsulfonyl-2-(trifluoromethyl)phenyl]boronic acid |
IUPAC Name: | [4-methylsulfonyl-2-(trifluoromethyl)phenyl]boronic acid |
Description: | 4-(Methylsulfonyl)-2-(trifluoromethyl)phenylboronic Acid (CAS# 1072946-16-7) is a useful research chemical. |
Molecular Weight: | 268.02 |
Molecular Formula: | C8H8F3O4SB |
Canonical SMILES: | B(C1=C(C=C(C=C1)S(=O)(=O)C)C(F)(F)F)(O)O |
InChI: | InChI=1S/C8H8BF3O4S/c1-17(15,16)5-2-3-7(9(13)14)6(4-5)8(10,11)12/h2-4,13-14H,1H3 |
InChI Key: | KRVRNINHXGLIEL-UHFFFAOYSA-N |
Storage: | Sealed in dry, 2-8 °C |
MDL: | MFCD10699623 |
LogP: | 0.86950 |
Publication Number | Title | Priority Date |
EP-3672962-A1 | Morpholinylpyridone compounds | 20170823 |
IL-272815-D0 | Morpholinylpyridone compounds | 20170823 |
KR-20200044025-A | Morpholinyl pyridone compound | 20170823 |
TW-201912161-A | Morpholinylpyridone compound | 20170823 |
WO-2019038390-A1 | MORPHOLINYLPYRIDONE COMPOUNDS | 20170823 |
Complexity: | 362 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 268.0188446 |
Formal Charge: | 0 |
Heavy Atom Count: | 17 |
Hydrogen Bond Acceptor Count: | 7 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 268.0188446 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 83 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
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