| CAS Number | 859211-28-2 |
| Catalog Number | AG01B8QJ(AGN-PC-0OK3Z1) |
| Chemical Name | 2-Bromo-4-ethynyl-1-methoxybenzene |
| IUPAC Name | 2-bromo-4-ethynyl-1-methoxybenzene |
| InChI | InChI=1S/C9H7BrO/c1-3-7-4-5-9(11-2)8(10)6-7/h1,4-6H,2H3 |
| InChI Key | DKZNNVRSAHPVGF-UHFFFAOYSA-N |
| MDL Number | MFCD18072884 |
| Molecular Formula | C9H7BrO |
| Molecular Weight | 211.0553 |
| SMILES | BrC1=CC(C#C)=CC=C1OC |
| Synonyms | 2-bromo-4-ethynyl-1-methoxybenzene,
859211-28-2,
SCHEMBL670539,
AKOS030756909,
ZINC114356651,
FCH1362965,
BBV-40239072,
EN300-201948,
Z1998636686,
|
| Complexity | 170 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 209.968g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 211.058g/mol |
| Monoisotopic Mass | 209.968g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 9.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.8 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number