| CAS Number | 1065074-23-8 |
| Catalog Number | AG007UNS(AGN-PC-0WAB85) |
| Chemical Name | 5-Bromo-8-trifluoromethoxyquinoline |
| IUPAC Name | 5-bromo-8-(trifluoromethoxy)quinoline |
| InChI | InChI=1S/C10H5BrF3NO/c11-7-3-4-8(16-10(12,13)14)9-6(7)2-1-5-15-9/h1-5H |
| InChI Key | WOLINLSINJUVKT-UHFFFAOYSA-N |
| MDL Number | MFCD11504881 |
| Molecular Formula | C10H5BrF3NO |
| Molecular Weight | 292.0520 |
| SMILES | FC(F)(F)OC1=C2N=CC=CC2=C(Br)C=C1 |
| Synonyms | 5-Bromo-8-(trifluoromethoxy)quinoline,
1065074-23-8,
5-BROMO-8-TRIFLUOROMETHOXYQUINOLINE,
ACMC-2098ke,
SCHEMBL19836985,
CTK4A4572,
DTXSID40674729,
ANW-15372,
MFCD11504881,
ZINC38537182,
AKOS015835471,
DS-6729,
RTR-001277,
AJ-95947,
AX8251505,
TR-001277,
Z6867,
A-4377,
I08-533,
C10H5BrF3NO,
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| Complexity | 249 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 290.951g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 292.055g/mol |
| Monoisotopic Mass | 290.951g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 22.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 4.3 |
GHS Hazard and Precautionary Statements
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Hazard Class
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Hazard statements
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H302-H315-H319-H335
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Packing Group
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Precautionary statements
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P261-P305+P351+P338
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Signal Words
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warning
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UN Code
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Certificate of Analysis
Lot Number