| CAS Number | 2088367-87-5 |
| Catalog Number | AG01EHO9 |
| Chemical Name | 5-Carbamoyl-2-(trifluoromethoxy)phenylboronic acid |
| IUPAC Name | [5-carbamoyl-2-(trifluoromethoxy)phenyl]boronic acid |
| InChI | InChI=1S/C8H7BF3NO4/c10-8(11,12)17-6-2-1-4(7(13)14)3-5(6)9(15)16/h1-3,15-16H,(H2,13,14) |
| InChI Key | PIVJPVFPITTYSD-UHFFFAOYSA-N |
| MDL Number | MFCD19981514 |
| Molecular Formula | C8H7BF3NO4 |
| Molecular Weight | 248.9517 |
| SMILES | OB(c1cc(ccc1OC(F)(F)F)C(=O)N)O |
| Synonyms | 5-Carbamoyl-2-(trifluoromethoxy)phenylboronic acid,
2088367-87-5,
(5-Carbamoyl-2-(trifluoromethoxy)phenyl)boronic acid,
C8H7BF3NO4,
MFCD19981514,
ZINC169955207,
Y2816,
B-9607,
1532518-85-6,
|
| Complexity | 286 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 249.042g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 7 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 248.952g/mol |
| Monoisotopic Mass | 249.042g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 92.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
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Certificate of Analysis
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