| CAS Number | 1072951-46-2 |
| Catalog Number | AG007ES1(AGN-PC-0WACCV) |
| Chemical Name | 8-Trifluoromethoxyquinoline-5-boronic acid |
| IUPAC Name | [8-(trifluoromethoxy)quinolin-5-yl]boronic acid |
| InChI | InChI=1S/C10H7BF3NO3/c12-10(13,14)18-8-4-3-7(11(16)17)6-2-1-5-15-9(6)8/h1-5,16-17H |
| InChI Key | ZDAZERWIWJDFAV-UHFFFAOYSA-N |
| MDL Number | MFCD11504851 |
| Molecular Formula | C10H7BF3NO3 |
| Molecular Weight | 256.9737 |
| SMILES | FC(F)(F)OC1=C2N=CC=CC2=C(B(O)O)C=C1 |
| Synonyms | 8-Trifluoromethoxyquinoline-5-boronic acid,
1072951-46-2,
(8-(Trifluoromethoxy)quinolin-5-yl)boronic acid,
[8-(trifluoromethoxy)quinolin-5-yl]boronic acid,
ACMC-2098sv,
C10H7BF3NO3,
CTK4A5282,
DTXSID70674737,
ANW-15677,
MFCD11504851,
AKOS015852966,
ZINC169904309,
RTR-001612,
PC412551,
TR-001612,
X1559,
I04-2733,
A-4600,
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| Complexity | 290 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 257.047g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 7 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 256.975g/mol |
| Monoisotopic Mass | 257.047g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 62.6A^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