| CAS Number | 1284229-49-7 |
| Catalog Number | AG01DV6V |
| Chemical Name | 1-[4-(4-chloro-but-2-ynyloxy)-phenyl]-ethanone |
| IUPAC Name | 1-[4-(4-chlorobut-2-ynoxy)phenyl]ethanone |
| InChI | InChI=1S/C12H11ClO2/c1-10(14)11-4-6-12(7-5-11)15-9-3-2-8-13/h4-7H,8-9H2,1H3 |
| InChI Key | SHYFTRIVFDLORP-UHFFFAOYSA-N |
| MDL Number | MFCD08447824 |
| Molecular Formula | C12H11ClO2 |
| Molecular Weight | 222.6675 |
| SMILES | ClCC#CCOC1=CC=C(C=C1)C(C)=O |
| Synonyms | 1-[4-(4-CHLORO-BUT-2-YNYLOXY)-PHENYL]-ETHANONE,
1284229-49-7,
CTK6H4440,
MFCD08447824,
1-(4-(4-chlorobut-2-ynyloxy)phenyl)ethanone,
1-[4-(4-Chloro-but-2-ynyloxy)-phenyl]-ethanone, 99%,
|
| Complexity | 266 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 222.045g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 222.668g/mol |
| Monoisotopic Mass | 222.045g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 26.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.2 |
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Certificate of Analysis
Lot Number