| CAS Number | 173019-85-7 |
| Catalog Number | AG018GSI(AGN-PC-0WBQ7U) |
| Chemical Name | 1-(3-Bromoprop-1-yn-1-yl)-4-methoxybenzene |
| IUPAC Name | 1-(3-bromoprop-1-ynyl)-4-methoxybenzene |
| InChI | InChI=1S/C10H9BrO/c1-12-10-6-4-9(5-7-10)3-2-8-11/h4-7H,8H2,1H3 |
| InChI Key | LZRMMEKWZYQTDE-UHFFFAOYSA-N |
| MDL Number | MFCD16653123 |
| Molecular Formula | C10H9BrO |
| Molecular Weight | 225.0819 |
| SMILES | COC1=CC=C(C#CCBr)C=C1 |
| Synonyms | 1-(3-bromoprop-1-yn-1-yl)-4-methoxybenzene,
173019-85-7,
1-(3-bromoprop-1-ynyl)-4-methoxybenzene,
ZINC34521317,
3-(4-Methoxyphenyl)propargyl bromide,
AKOS015958142,
F2147-0723,
CID10846808,
1-(3-bromoprop-1-ynyl)-4-methoxy-benzene,
|
| Complexity | 181 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 223.984g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 225.085g/mol |
| Monoisotopic Mass | 223.984g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 9.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.2 |
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Certificate of Analysis
Lot Number