| CAS Number | 1133115-83-9 |
| Catalog Number | AG003MWX(AGN-PC-0WCYGY) |
| Chemical Name | 5-Nitro-6-(trifluoromethoxy)quinoline |
| IUPAC Name | 5-nitro-6-(trifluoromethoxy)quinoline |
| InChI | InChI=1S/C10H5F3N2O3/c11-10(12,13)18-8-4-3-7-6(2-1-5-14-7)9(8)15(16)17/h1-5H |
| InChI Key | UXFDSUZDFANKFP-UHFFFAOYSA-N |
| MDL Number | MFCD11855900 |
| Molecular Formula | C10H5F3N2O3 |
| Molecular Weight | 258.1535 |
| SMILES | [O-][N+](=O)c1c(ccc2c1cccn2)OC(F)(F)F |
| Synonyms | 5-NITRO-6-(TRIFLUOROMETHOXY)QUINOLINE,
1133115-83-9,
ACMC-2099in,
CTK4A8227,
DTXSID10674872,
ANW-16605,
MFCD11855900,
ZINC38537319,
AKOS015833496,
RTR-002560,
CJ-19432,
TR-002560,
Z7442,
A-4994,
I08-517,
J-002940,
C10H5F3N2O3,
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| Complexity | 319 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 258.025g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 7 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 258.156g/mol |
| Monoisotopic Mass | 258.025g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 67.9A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.2 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number