| CAS Number | 197846-08-5 |
| Catalog Number | AG01C15N(AGN-PC-0NBJML) |
| Chemical Name | Methyl 5-bromofuran-3-carboxylate |
| IUPAC Name | methyl 5-bromofuran-3-carboxylate |
| InChI | InChI=1S/C6H5BrO3/c1-9-6(8)4-2-5(7)10-3-4/h2-3H,1H3 |
| InChI Key | DDCVXKKLSQNHIK-UHFFFAOYSA-N |
| MDL Number | MFCD18425997 |
| Molecular Formula | C6H5BrO3 |
| Molecular Weight | 205.0061 |
| SMILES | BrC1=CC(=CO1)C(=O)OC |
| Synonyms | Methyl 5-bromofuran-3-carboxylate,
197846-08-5,
3-Furancarboxylic acid, 5-bromo-, methyl ester,
SCHEMBL363238,
ZINC78388593,
CID10845886,
|
| 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 | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 205.007g/mol |
| Monoisotopic Mass | 203.942g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 39.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.9 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number