| CAS Number | 53704-75-9 |
| Catalog Number | AG01B9M5(AGN-PC-0062MT) |
| Chemical Name | 2-bromo-1-(4-butoxyphenyl)ethan-1-one |
| IUPAC Name | 2-bromo-1-(4-butoxyphenyl)ethanone |
| InChI | InChI=1S/C12H15BrO2/c1-2-3-8-15-11-6-4-10(5-7-11)12(14)9-13/h4-7H,2-3,8-9H2,1H3 |
| InChI Key | MIODISVXSASJOK-UHFFFAOYSA-N |
| MDL Number | MFCD00642505 |
| Molecular Formula | C12H15BrO2 |
| Molecular Weight | 271.1503 |
| SMILES | CCCCOC1=CC=C(C(CBr)=O)C=C1 |
| Synonyms | 2-bromo-1-(4-butoxyphenyl)ethanone,
53704-75-9,
Ethanone, 2-bromo-1-(4-butoxyphenyl)-,
2-bromo-1-(4-butoxyphenyl)ethan-1-one,
p-n-butoxyphenacyl bromide,
SCHEMBL5055145,
CTK1G0362,
DTXSID30461347,
MIODISVXSASJOK-UHFFFAOYSA-N,
ZINC87224655,
AKOS018709144,
CID11288719,
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| Complexity | 186 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 270.026g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 271.154g/mol |
| Monoisotopic Mass | 270.026g/mol |
| Rotatable Bond Count | 6 |
| Topological Polar Surface Area | 26.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.7 |
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Certificate of Analysis
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