| CAS Number | 1399653-21-4 |
| Catalog Number | AG00VVIT(AGN-PC-0WBKWJ) |
| Chemical Name | 4-Bromo-5-methylfuran-2-carboxylic acid |
| IUPAC Name | 4-bromo-5-methylfuran-2-carboxylic acid |
| InChI | InChI=1S/C6H5BrO3/c1-3-4(7)2-5(10-3)6(8)9/h2H,1H3,(H,8,9) |
| InChI Key | HFDIFDFYMUMTBN-UHFFFAOYSA-N |
| MDL Number | MFCD22421377 |
| Molecular Formula | C6H5BrO3 |
| Molecular Weight | 205.0061 |
| SMILES | CC1=C(Br)C=C(C(O)=O)O1 |
| Synonyms | 4-bromo-5-methylfuran-2-carboxylic acid,
1399653-21-4,
SCHEMBL12995249,
ZINC85395002,
AKOS020008027,
NS-02162,
F8884-9740,
4-Bromo-5-methyl-furan-2-carboxylic acid,
|
| Complexity | 148 |
| 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 | 1 |
| Topological Polar Surface Area | 50.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.9 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number