| CAS Number | 2096332-30-6 |
| Catalog Number | AG01EHHT |
| Chemical Name | 4-(Morpholinosulfonyl)-2-trifluoromethylphenylboronic acid |
| IUPAC Name | [4-morpholin-4-ylsulfonyl-2-(trifluoromethyl)phenyl]boronic acid |
| InChI | InChI=1S/C11H13BF3NO5S/c13-11(14,15)9-7-8(1-2-10(9)12(17)18)22(19,20)16-3-5-21-6-4-16/h1-2,7,17-18H,3-6H2 |
| InChI Key | YXEYVMPXRUATEN-UHFFFAOYSA-N |
| MDL Number | MFCD18783148 |
| Molecular Formula | C11H13BF3NO5S |
| Molecular Weight | 339.0958 |
| SMILES | OB(c1ccc(cc1C(F)(F)F)S(=O)(=O)N1CCOCC1)O |
| Synonyms | 4-(Morpholinosulfonyl)-2-trifluoromethylphenylboronic acid,
2096332-30-6,
(4-(Morpholinosulfonyl)-2-(trifluoromethyl)phenyl)boronic acid,
C11H13BF3NO5S,
MFCD18783148,
AKOS027369863,
ZINC169934938,
Y2648,
A-3381,
na,
|
| Complexity | 475 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 339.056g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 22 |
| Hydrogen Bond Acceptor Count | 9 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 339.092g/mol |
| Monoisotopic Mass | 339.056g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 95.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number