| CAS Number | 447402-12-2 |
| Catalog Number | AG01B24K(AGN-PC-01MMP0) |
| Chemical Name | 3-bromo-2-(bromomethyl)-1-benzofuran |
| IUPAC Name | 3-bromo-2-(bromomethyl)-1-benzofuran |
| InChI | InChI=1S/C9H6Br2O/c10-5-8-9(11)6-3-1-2-4-7(6)12-8/h1-4H,5H2 |
| InChI Key | WIHABELRBPWGPB-UHFFFAOYSA-N |
| MDL Number | MFCD29991558 |
| Molecular Formula | C9H6Br2O |
| Molecular Weight | 289.9513 |
| SMILES | BrCC1=C(Br)C2=C(C=CC=C2)O1 |
| Synonyms | 3-bromo-2-(bromomethyl)-1-benzofuran,
447402-12-2,
SCHEMBL3380979,
3-bromo-2-bromomethylbenzofuran,
WIHABELRBPWGPB-UHFFFAOYSA-N,
ZINC150148106,
|
| Complexity | 163 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 289.876g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 289.954g/mol |
| Monoisotopic Mass | 287.879g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 13.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.6 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number