| CAS Number | 1783960-04-2 |
| Catalog Number | AG01B404 |
| Chemical Name | (3-Bromo-1-benzofuran-2-yl)methanol |
| IUPAC Name | (3-bromo-1-benzofuran-2-yl)methanol |
| InChI | InChI=1S/C9H7BrO2/c10-9-6-3-1-2-4-7(6)12-8(9)5-11/h1-4,11H,5H2 |
| InChI Key | WOLMUPDGDOIEEX-UHFFFAOYSA-N |
| MDL Number | MFCD28613660 |
| Molecular Formula | C9H7BrO2 |
| Molecular Weight | 227.0547 |
| SMILES | OCC1=C(Br)C2=C(C=CC=C2)O1 |
| Synonyms | (3-bromo-1-benzofuran-2-yl)methanol,
1783960-04-2,
SCHEMBL6854050,
AKOS024225490,
ZINC141541856,
|
| Complexity | 163 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 225.963g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 227.057g/mol |
| Monoisotopic Mass | 225.963g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 33.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.2 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number