| CAS Number | 1346665-27-7 |
| Catalog Number | AG009WUR(AGN-PC-0WA6MU) |
| Chemical Name | 2-Ethyl-5-(trifluoromethyl)pyrazole-3-boronic acid |
| IUPAC Name | [2-ethyl-5-(trifluoromethyl)pyrazol-3-yl]boronic acid |
| InChI | InChI=1S/C6H8BF3N2O2/c1-2-12-5(7(13)14)3-4(11-12)6(8,9)10/h3,13-14H,2H2,1H3 |
| InChI Key | ZTZOXIFXHVHNBB-UHFFFAOYSA-N |
| MDL Number | MFCD23135908 |
| Molecular Formula | C6H8BF3N2O2 |
| Molecular Weight | 207.9461 |
| SMILES | CCN1C(B(O)O)=CC(C(F)(F)F)=N1 |
| Synonyms | 2-ETHYL-5-(TRIFLUOROMETHYL)PYRAZOLE-3-BORONIC ACID,
1346665-27-7,
SCHEMBL723295,
ZTZOXIFXHVHNBB-UHFFFAOYSA-N,
KM3718,
AKOS025293590,
ZINC169988585,
FCH2316342,
PC412400,
Z9816,
(1-ethyl-3-(trifluoromethyl)-1H-pyrazol-5-yl)boronic acid,
C6H8BF3N2O2,
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| Complexity | 202 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 208.063g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 207.947g/mol |
| Monoisotopic Mass | 208.063g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 58.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
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Certificate of Analysis
Lot Number