| CAS Number | 1504952-98-0 |
| Catalog Number | AG01C46F(AGN-PC-0WG44C) |
| Chemical Name | 2-Bromo-5-(difluoromethoxy)benzaldehyde |
| IUPAC Name | 2-bromo-5-(difluoromethoxy)benzaldehyde |
| InChI | InChI=1S/C8H5BrF2O2/c9-7-2-1-6(13-8(10)11)3-5(7)4-12/h1-4,8H |
| InChI Key | IMZHQMVABIOGMU-UHFFFAOYSA-N |
| MDL Number | MFCD24131095 |
| Molecular Formula | C8H5BrF2O2 |
| Molecular Weight | 251.0249 |
| SMILES | O=Cc1cc(ccc1Br)OC(F)F |
| Synonyms | 2-Bromo-5-(difluoromethoxy)benzaldehyde,
1504952-98-0,
MFCD24131095,
AKOS020167365,
ZINC128655283,
CS-0047444,
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| Complexity | 178 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 249.944g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 251.027g/mol |
| Monoisotopic Mass | 249.944g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 26.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3 |
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Certificate of Analysis
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