| CAS Number | 1055176-30-1 |
| Catalog Number | AG008VXF(AGN-PC-0WOLDZ) |
| Chemical Name | 6-Bromo-2-fluoro-3-(trifluoromethyl)benzaldehyde |
| IUPAC Name | 6-bromo-2-fluoro-3-(trifluoromethyl)benzaldehyde |
| InChI | InChI=1S/C8H3BrF4O/c9-6-2-1-5(8(11,12)13)7(10)4(6)3-14/h1-3H |
| InChI Key | WEMMKWCCQNHYIO-UHFFFAOYSA-N |
| MDL Number | MFCD16658656 |
| Molecular Formula | C8H3BrF4O |
| Molecular Weight | 271.0064 |
| SMILES | BrC1=CC=C(C(=C1C=O)F)C(F)(F)F |
| Synonyms | 6-bromo-2-fluoro-3-(trifluoromethyl)benzaldehyde,
1055176-30-1,
SCHEMBL1015538,
WEMMKWCCQNHYIO-UHFFFAOYSA-N,
MFCD16658656,
ZINC38410168,
AS-43183,
C-0340,
6-bromo-2-fluoro-3-trifluoromethyl-benzaldehyde,
6-Bromo-2-fluoro-3-(trifluoromethyl)benzaldehyde, AldrichCPR,
CID10236304,
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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 | 269.93g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 271.009g/mol |
| Monoisotopic Mass | 269.93g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 17.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.1 |
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Certificate of Analysis
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