| CAS Number | 1183652-92-7 |
| Catalog Number | AG01BCC5 |
| Chemical Name | 1-(2-Bromo-4-methoxyphenyl)-2-methylpropan-1-one |
| IUPAC Name | 1-(2-bromo-4-methoxyphenyl)-2-methylpropan-1-one |
| InChI | InChI=1S/C11H13BrO2/c1-7(2)11(13)9-5-4-8(14-3)6-10(9)12/h4-7H,1-3H3 |
| InChI Key | DWSINROGTIDKRL-UHFFFAOYSA-N |
| MDL Number | MFCD12150363 |
| Molecular Formula | C11H13BrO2 |
| Molecular Weight | 257.1237 |
| SMILES | COC1=CC(Br)=C(C(C(C)C)=O)C=C1 |
| Synonyms | 1-(2-bromo-4-methoxyphenyl)-2-methylpropan-1-one,
1183652-92-7,
SCHEMBL3484699,
ZINC37444585,
AKOS010001293,
Z2161028082,
|
| Complexity | 204 |
| 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 | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 257.127g/mol |
| Monoisotopic Mass | 256.01g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 26.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.5 |
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Certificate of Analysis
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