| CAS Number | 1189105-68-7 |
| Catalog Number | AG00755K(AGN-PC-0WAN40) |
| Chemical Name | 4-Bromo-6-(trifluoromethoxy)quinoline |
| IUPAC Name | 4-bromo-6-(trifluoromethoxy)quinoline |
| InChI | InChI=1S/C10H5BrF3NO/c11-8-3-4-15-9-2-1-6(5-7(8)9)16-10(12,13)14/h1-5H |
| InChI Key | MQWWGBHKEREGLA-UHFFFAOYSA-N |
| MDL Number | MFCD12674963 |
| Molecular Formula | C10H5BrF3NO |
| Molecular Weight | 292.0520 |
| SMILES | FC(F)(F)OC1=CC=C2N=CC=C(Br)C2=C1 |
| Synonyms | 4-Bromo-6-(trifluoromethoxy)quinoline,
1189105-68-7,
4-Bromo-6-trifluoromethoxyquinoline,
AK138057,
CTK8E4900,
DTXSID40670908,
MFCD12674963,
ZINC36075557,
AKOS022173574,
DS-5947,
AJ-92386,
AX8259606,
RT-016949,
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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 | 4.1 |
GHS Hazard and Precautionary Statements
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Hazard Class
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Hazard statements
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H302-H315-H319-H332-H335
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Packing Group
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Precautionary statements
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P280-P305+P351+P338-P310
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UN Code
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Certificate of Analysis
Lot Number