| CAS Number | 1579278-86-6 |
| Catalog Number | AG01FOI7(AGN-PC-0WCD3G) |
| Chemical Name | 8-Bromooct-1-yn-3-ol |
| IUPAC Name | 8-bromooct-1-yn-3-ol |
| InChI | InChI=1S/C8H13BrO/c1-2-8(10)6-4-3-5-7-9/h1,8,10H,3-7H2 |
| InChI Key | XWAIAHGGCLXSQW-UHFFFAOYSA-N |
| MDL Number | MFCD24465304 |
| Molecular Formula | C8H13BrO |
| Molecular Weight | 205.0922 |
| SMILES | BrCCCCCC(C#C)O |
| Synonyms | 8-Bromooct-1-yn-3-ol,
1579278-86-6,
SCHEMBL19433721,
BBL102329,
STL556129,
AKOS017342837,
|
| Complexity | 114 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 204.015g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 10 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 205.095g/mol |
| Monoisotopic Mass | 204.015g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 20.2A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.9 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number