| CAS Number | 1451393-24-0 |
| Catalog Number | AG00AR4S(AGN-PC-0WOM73) |
| Chemical Name | 3-Formyl-5-(trifluoromethyl)phenylboronic acid |
| IUPAC Name | [3-formyl-5-(trifluoromethyl)phenyl]boronic acid |
| InChI | InChI=1S/C8H6BF3O3/c10-8(11,12)6-1-5(4-13)2-7(3-6)9(14)15/h1-4,14-15H |
| InChI Key | PUGXLUVQWNOCAW-UHFFFAOYSA-N |
| MDL Number | MFCD16295235 |
| Molecular Formula | C8H6BF3O3 |
| Molecular Weight | 217.9376 |
| SMILES | C(=O)C=1C=C(C=C(C1)C(F)(F)F)B(O)O |
| Synonyms | 1451393-24-0,
3-FORMYL-5-(TRIFLUOROMETHYL)PHENYLBORONIC ACID,
(3-Formyl-5-(trifluoromethyl)phenyl)boronic acid,
MFCD16295235,
AKOS022181620,
ZINC169955642,
AB70804,
BC001811,
Z1440,
B-8978,
C8H6BF3O3,
(1-(5-CARBOXYPENTYL)-3,3-DIMETHYL-3H-INDOL-1-IUM-2-YL)METHANIDE HYDROBROMIDE,
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| Complexity | 232 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 218.036g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 217.938g/mol |
| Monoisotopic Mass | 218.036g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 57.5A^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