| CAS Number | 1361950-47-1 |
| Catalog Number | AG00HUHR(AGN-PC-0WR7IR) |
| Chemical Name | 2-(Bromomethyl)furan-3-carboxylic acid |
| IUPAC Name | 2-(bromomethyl)furan-3-carboxylic acid |
| InChI | InChI=1S/C6H5BrO3/c7-3-5-4(6(8)9)1-2-10-5/h1-2H,3H2,(H,8,9) |
| InChI Key | YPXBFMXTZUOCNU-UHFFFAOYSA-N |
| MDL Number | MFCD24465466 |
| Molecular Formula | C6H5BrO3 |
| Molecular Weight | 205.0061 |
| SMILES | C1(C=COC=1CBr)C(O)=O |
| Synonyms | 2-(Bromomethyl)furan-3-carboxylic acid,
1361950-47-1,
3-Furancarboxylic acid, 2-(bromomethyl)-,
2-(Bromomethyl)-3-furoic acid,
MFCD24465466,
ZINC97757478,
AKOS030631312,
|
| Complexity | 137 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 203.942g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 10 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 205.007g/mol |
| Monoisotopic Mass | 203.942g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 50.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.1 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number