| CAS Number | 2096329-67-6 |
| Catalog Number | AG01EHBK |
| Chemical Name | 3-Carboxy-4-(trifluoromethoxy)phenylboronic acid |
| IUPAC Name | 5-borono-2-(trifluoromethoxy)benzoic acid |
| InChI | InChI=1S/C8H6BF3O5/c10-8(11,12)17-6-2-1-4(9(15)16)3-5(6)7(13)14/h1-3,15-16H,(H,13,14) |
| InChI Key | HOQWULMXJNHMDR-UHFFFAOYSA-N |
| MDL Number | MFCD20231437 |
| Molecular Formula | C8H6BF3O5 |
| Molecular Weight | 249.9364 |
| SMILES | OC(=O)c1cc(ccc1OC(F)(F)F)B(O)O |
| Synonyms | 3-Carboxy-4-(trifluoromethoxy)phenylboronic acid,
2096329-67-6,
5-borono-2-(trifluoromethoxy)benzoic acid,
C8H6BF3O5,
MFCD20231437,
ZINC169955244,
Y2504,
B-9505,
|
| Complexity | 283 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 250.026g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 8 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 249.936g/mol |
| Monoisotopic Mass | 250.026g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 87A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
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Certificate of Analysis
Lot Number