| CAS Number | 1346270-08-3 |
| Catalog Number | AG00HTCS(AGN-PC-0WQZ8T) |
| Chemical Name | (3-(trifluoromethyl)-1H-pyrazol-5-yl)boronic acid |
| IUPAC Name | [3-(trifluoromethyl)-1H-pyrazol-5-yl]boronic acid |
| InChI | InChI=1S/C4H4BF3N2O2/c6-4(7,8)2-1-3(5(11)12)10-9-2/h1,11-12H,(H,9,10) |
| InChI Key | GEWFNXUSWMETAI-UHFFFAOYSA-N |
| MDL Number | MFCD28009360 |
| Molecular Formula | C4H4BF3N2O2 |
| Molecular Weight | 179.8930 |
| SMILES | FC(C1=NNC(B(O)O)=C1)(F)F |
| Synonyms | (5-(Trifluoromethyl)-1H-pyrazol-3-yl)boronic acid,
1346270-08-3,
AKOS006287292,
ZINC198949977,
AB41397,
CS-0080480,
5-Trifluoromethyl-1H-pyrazole-3-boronic acid,
[3-(trifluoromethyl)-1H-pyrazol-5-yl]boronic acid,
5-TRIFLUOROMETHYL-1H-PYRAZOL-3-YLBORONIC ACID,
|
| Complexity | 165 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 180.032g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 179.893g/mol |
| Monoisotopic Mass | 180.032g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 69.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
| Symbol: | |
|
Hazard statements
|
|
|
Precautionary statements
|
|
Certificate of Analysis
Lot Number