| CAS Number | 2010955-48-1 |
| Catalog Number | AG00I3RC(AGN-PC-0WP1T4) |
| Chemical Name | 6-bromo-2,3-difluoro-4-hydroxybenzaldehyde |
| IUPAC Name | 6-bromo-2,3-difluoro-4-hydroxybenzaldehyde |
| InChI | InChI=1S/C7H3BrF2O2/c8-4-1-5(12)7(10)6(9)3(4)2-11/h1-2,12H |
| InChI Key | YRUSYULQLGSEGN-UHFFFAOYSA-N |
| MDL Number | MFCD30474676 |
| Molecular Formula | C7H3BrF2O2 |
| Molecular Weight | 236.9983 |
| SMILES | OC1=C(F)C(F)=C(C=O)C(Br)=C1 |
| Synonyms | 6-Bromo-2,3-difluoro-4-hydroxybenzaldehyde,
2010955-48-1,
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| Complexity | 179 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 235.928g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 237g/mol |
| Monoisotopic Mass | 235.928g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 37.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.9 |
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Certificate of Analysis
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