| CAS Number | 1603573-36-9 |
| Catalog Number | AG01FQ0C(AGN-PC-3H5P7N) |
| Chemical Name | 4-Bromo-2-chloro-1-ethynylbenzene |
| IUPAC Name | 4-bromo-2-chloro-1-ethynylbenzene |
| InChI | InChI=1S/C8H4BrCl/c1-2-6-3-4-7(9)5-8(6)10/h1,3-5H |
| InChI Key | IDIMJJUCGARNHO-UHFFFAOYSA-N |
| MDL Number | MFCD30163704 |
| Molecular Formula | C8H4BrCl |
| Molecular Weight | 215.4744 |
| SMILES | C#Cc1ccc(cc1Cl)Br |
| Synonyms | 4-Bromo-2-chloro-1-ethynylbenzene,
A1-12815,
1603573-36-9,
|
| Complexity | 158 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 213.91849g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 10 |
| Hydrogen Bond Acceptor Count | 0 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 215.47g/mol |
| Monoisotopic Mass | 213.91849g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 0Ų |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.5 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number