| CAS Number | 1247482-85-4 |
| Catalog Number | AG01A54D |
| Chemical Name | 1-(5-bromo-2-hydroxyphenyl)-2,2-dimethylpropan-1-one |
| IUPAC Name | 1-(5-bromo-2-hydroxyphenyl)-2,2-dimethylpropan-1-one |
| InChI | InChI=1S/C11H13BrO2/c1-11(2,3)10(14)8-6-7(12)4-5-9(8)13/h4-6,13H,1-3H3 |
| InChI Key | UBPIREDFJDZQMX-UHFFFAOYSA-N |
| MDL Number | MFCD16742948 |
| Molecular Formula | C11H13BrO2 |
| Molecular Weight | 257.1237 |
| SMILES | CC(C(C1=C(O)C=CC(Br)=C1)=O)(C)C |
| Synonyms | 1-(5-bromo-2-hydroxyphenyl)-2,2-dimethylpropan-1-one,
1247482-85-4,
ZINC52068551,
AKOS011666031,
NE55466,
|
| Complexity | 220 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 256.01g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 257.127g/mol |
| Monoisotopic Mass | 256.01g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 37.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.9 |
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Certificate of Analysis
Lot Number