| CAS Number | 1184146-34-6 |
| Catalog Number | AG01DYGR |
| Chemical Name | 1-(3-chloroprop-1-yn-1-yl)-4-(2-phenylethoxy)benzene |
| IUPAC Name | 1-(3-chloroprop-1-ynyl)-4-(2-phenylethoxy)benzene |
| InChI | InChI=1S/C17H15ClO/c18-13-4-7-16-8-10-17(11-9-16)19-14-12-15-5-2-1-3-6-15/h1-3,5-6,8-11H,12-14H2 |
| InChI Key | BBEHVAKVPLAMQW-UHFFFAOYSA-N |
| MDL Number | MFCD12606433 |
| Molecular Formula | C17H15ClO |
| Molecular Weight | 270.7534 |
| SMILES | ClCC#CC1=CC=C(OCCC2=CC=CC=C2)C=C1 |
| Synonyms | 1-(3-chloroprop-1-yn-1-yl)-4-phenethoxybenzene,
1184146-34-6,
|
| Complexity | 300 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 270.081g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 19 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 270.756g/mol |
| Monoisotopic Mass | 270.081g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 9.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 4.6 |
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Certificate of Analysis
Lot Number