| CAS Number | 1420830-61-0 |
| Catalog Number | AG00HWB3 |
| Chemical Name | 2-Methoxy-3-(trifluoroMethyl)pyridine-5-boronic acid |
| IUPAC Name | [6-methoxy-5-(trifluoromethyl)pyridin-3-yl]boronic acid |
| InChI | InChI=1S/C7H7BF3NO3/c1-15-6-5(7(9,10)11)2-4(3-12-6)8(13)14/h2-3,13-14H,1H3 |
| InChI Key | XQWLEOMVXZZEFU-UHFFFAOYSA-N |
| MDL Number | MFCD18254530 |
| Molecular Formula | C7H7BF3NO3 |
| Molecular Weight | 220.9416 |
| SMILES | FC(C1=C(OC)N=CC(B(O)O)=C1)(F)F |
| Synonyms | 1420830-61-0,
2-METHOXY-3-(TRIFLUOROMETHYL)PYRIDINE-5-BORONIC ACID,
(6-methoxy-5-(trifluoromethyl)pyridin-3-yl)boronic acid,
[6-methoxy-5-(trifluoromethyl)pyridin-3-yl]boronic acid,
SCHEMBL14654812,
Boronic acid, B-[6-methoxy-5-(trifluoromethyl)-3-pyridinyl]-,
ZINC204917764,
AB74590,
C-0025,
6-METHOXY-5-(TRIFLUOROMETHYL)PYRIDIN-3-YLBORONIC ACID,
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| Complexity | 214 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 221.047g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 7 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 220.942g/mol |
| Monoisotopic Mass | 221.047g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 62.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
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Certificate of Analysis
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