| CAS Number | 909186-28-3 |
| Catalog Number | AG019DUX(AGN-PC-0WBRAZ) |
| Chemical Name | 3-Bromo-2-fluoro-6-(trifluoromethyl)benzaldehyde |
| IUPAC Name | 3-bromo-2-fluoro-6-(trifluoromethyl)benzaldehyde |
| InChI | InChI=1S/C8H3BrF4O/c9-6-2-1-5(8(11,12)13)4(3-14)7(6)10/h1-3H |
| InChI Key | QOJSBNXPUWBXDT-UHFFFAOYSA-N |
| MDL Number | MFCD11520664 |
| Molecular Formula | C8H3BrF4O |
| Molecular Weight | 271.0064 |
| SMILES | FC1=C(C=O)C(C(F)(F)F)=CC=C1Br |
| Synonyms | 909186-28-3,
3-bromo-2-fluoro-6-(trifluoromethyl)benzaldehyde,
3-Bromo-2-fluoro-6-(trifluormethyl)benzaldehyde,
SCHEMBL2952070,
BBL103149,
STL556959,
ZINC90413528,
AKOS005258728,
FCH1404414,
MS-20563,
PC501889,
ST24041841,
Z1068,
Q-8521,
Benzaldehyde, 3-bromo-2-fluoro-6-(trifluoromethyl)-,
3-Bromo-2-fluoro-6-(trifluoromethyl)benzaldehyde, AldrichCPR,
C8H3BrF4O,
AJ-128701,
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| Complexity | 218 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 269.93034g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 271.01g/mol |
| Monoisotopic Mass | 269.93034g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 17.1Ų |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.1 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number