| CAS Number | 1189105-60-9 |
| Catalog Number | AG0093F0(AGN-PC-0WAN41) |
| Chemical Name | 4-Bromo-8-(Trifluoromethoxy)Quinoline |
| IUPAC Name | 4-bromo-8-(trifluoromethoxy)quinoline |
| InChI | InChI=1S/C10H5BrF3NO/c11-7-4-5-15-9-6(7)2-1-3-8(9)16-10(12,13)14/h1-5H |
| InChI Key | STBZTALIYXDJFB-UHFFFAOYSA-N |
| MDL Number | MFCD12674964 |
| Molecular Formula | C10H5BrF3NO |
| Molecular Weight | 292.0520 |
| SMILES | FC(F)(F)OC1=C2N=CC=C(Br)C2=CC=C1 |
| Synonyms | 4-Bromo-8-(trifluoromethoxy)quinoline,
1189105-60-9,
4-Bromo-8-trifluoromethoxyquinoline,
AK138059,
CTK8E4920,
KS-00000RQS,
DTXSID70670911,
MFCD12674964,
ZINC36075560,
AKOS022173598,
DS-5948,
AJ-92388,
AX8259608,
RT-016983,
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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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UN Code
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Certificate of Analysis
Lot Number