| CAS Number | 1072951-55-3 |
| Catalog Number | AG003BXJ(AGN-PC-07XU44) |
| Chemical Name | 5-Trifluoromethylquinoline-8-boronic acid |
| IUPAC Name | [5-(trifluoromethyl)quinolin-8-yl]boronic acid |
| InChI | InChI=1S/C10H7BF3NO2/c12-10(13,14)7-3-4-8(11(16)17)9-6(7)2-1-5-15-9/h1-5,16-17H |
| InChI Key | LSVTVEGEWFIJQL-UHFFFAOYSA-N |
| MDL Number | MFCD11504856 |
| Molecular Formula | C10H7BF3NO2 |
| Molecular Weight | 240.9743 |
| SMILES | OB(c1ccc(c2c1nccc2)C(F)(F)F)O |
| Synonyms | 1072951-55-3,
(5-(Trifluoromethyl)quinolin-8-yl)boronic acid,
5-TRIFLUOROMETHYLQUINOLINE-8-BORONIC ACID,
[5-(trifluoromethyl)quinolin-8-yl]boronic acid,
ACMC-2098t2,
SCHEMBL10272166,
CTK4A5289,
DTXSID40674764,
ANW-15684,
MFCD11504856,
AKOS015852891,
ZINC169904329,
RTR-001618,
PC412177,
AX8236019,
TR-001618,
X1562,
A-4607,
I04-2717,
C10H7BF3NO2,
(5-(Trifluoromethyl)quinolin-8-yl)boronicacid,
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| Complexity | 275 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 241.052g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 240.976g/mol |
| Monoisotopic Mass | 241.052g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 53.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
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Hazard Class
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Hazard statements
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H317-H319
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Packing Group
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Precautionary statements
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P280-P305+P351+P338
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UN Code
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Certificate of Analysis
Lot Number