| CAS Number | 1881295-77-7 |
| Catalog Number | AG00I29S(AGN-PC-0WP1SQ) |
| Chemical Name | 2-Bromo-5-(methoxymethoxy)-4-(trifluoromethyl)benzaldehyde |
| IUPAC Name | 2-bromo-5-(methoxymethoxy)-4-(trifluoromethyl)benzaldehyde |
| InChI | InChI=1S/C10H8BrF3O3/c1-16-5-17-9-2-6(4-15)8(11)3-7(9)10(12,13)14/h2-4H,5H2,1H3 |
| InChI Key | QDOMVPXFCGJVJV-UHFFFAOYSA-N |
| MDL Number | MFCD29059788 |
| Molecular Formula | C10H8BrF3O3 |
| Molecular Weight | 313.0679 |
| SMILES | COCOc1cc(C=O)c(cc1C(F)(F)F)Br |
| Synonyms | 2-Bromo-5-(methoxymethoxy)-4-(trifluoromethyl)benzaldehyde,
1881295-77-7,
ZINC261494109,
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| Complexity | 260 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 311.961g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 313.07g/mol |
| Monoisotopic Mass | 311.961g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 35.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.9 |
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Certificate of Analysis
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