| CAS Number | 1621375-69-6 |
| Catalog Number | AG01AF6Q |
| Chemical Name | 2-Bromo-1-(3,4-difluoro-2-hydroxyphenyl)ethan-1-one |
| IUPAC Name | 2-bromo-1-(3,4-difluoro-2-hydroxyphenyl)ethanone |
| InChI | InChI=1S/C8H5BrF2O2/c9-3-6(12)4-1-2-5(10)7(11)8(4)13/h1-2,13H,3H2 |
| InChI Key | HCRCQCWWMQRSKQ-UHFFFAOYSA-N |
| MDL Number | MFCD28789107 |
| Molecular Formula | C8H5BrF2O2 |
| Molecular Weight | 251.0249 |
| SMILES | BrCC(=O)C1=C(C(=C(C=C1)F)F)O |
| Synonyms | 2-bromo-1-(3,4-difluoro-2-hydroxyphenyl)ethan-1-one,
1621375-69-6,
ZINC307008590,
2-bromo-1-(3,4-difluoro-2-hydroxyphenyl)ethanone,
|
| Complexity | 201 |
| 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 | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 251.027g/mol |
| Monoisotopic Mass | 249.944g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 37.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.8 |
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Certificate of Analysis
Lot Number