| CAS Number | 38281-52-6 |
| Catalog Number | AG007AQM(AGN-PC-0NIMXR) |
| Chemical Name | 3-Bromo-1-benzofuran-2-carbaldehyde |
| IUPAC Name | 3-bromo-1-benzofuran-2-carbaldehyde |
| InChI | InChI=1S/C9H5BrO2/c10-9-6-3-1-2-4-7(6)12-8(9)5-11/h1-5H |
| InChI Key | XJHLNJBEPAUFOD-UHFFFAOYSA-N |
| MDL Number | MFCD18074168 |
| Molecular Formula | C9H5BrO2 |
| Molecular Weight | 225.0388 |
| SMILES | BrC1C2=C(C=CC=C2)OC=1C=O |
| Synonyms | 38281-52-6,
3-bromo-1-benzofuran-2-carbaldehyde,
3-bromobenzofuran-2-carbaldehyde,
2-Benzofurancarboxaldehyde, 3-bromo-,
SCHEMBL2016355,
CTK1B4995,
DTXSID90491564,
XJHLNJBEPAUFOD-UHFFFAOYSA-N,
ZINC39208873,
3-bromo-2-benzo[b]furancarboxaldehyde,
|
| Complexity | 183 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 223.947g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 225.041g/mol |
| Monoisotopic Mass | 223.947g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 30.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.8 |
GHS Hazard and Precautionary Statements
| Symbol: | |
|
Hazard statements
|
|
|
Precautionary statements
|
|
Certificate of Analysis
Lot Number