| CAS Number | 5896-35-5 |
| Catalog Number | AG00ECRB(AGN-PC-0WANOQ) |
| Chemical Name | 5-Bromo-3-methylfuran-2-carboxylic acid |
| IUPAC Name | 5-bromo-3-methylfuran-2-carboxylic acid |
| InChI | InChI=1S/C6H5BrO3/c1-3-2-4(7)10-5(3)6(8)9/h2H,1H3,(H,8,9) |
| InChI Key | WXEJPQJVASKGHW-UHFFFAOYSA-N |
| MDL Number | MFCD06227464 |
| Molecular Formula | C6H5BrO3 |
| Molecular Weight | 205.0061 |
| SMILES | O=C(C1=C(C)C=C(Br)O1)O |
| Synonyms | 5-bromo-3-methylfuran-2-carboxylic acid,
5896-35-5,
AC1Q2G87,
SCHEMBL4367459,
CTK5I6268,
MFCD06227464,
ZINC12506761,
AKOS009235333,
MCULE-4836489792,
NE47733,
5-BROMO-3-METHYL-2-FUROIC ACID,
EN300-43576,
|
| 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 | 2.2 |
GHS Hazard and Precautionary Statements
| Symbol: | |
|
Hazard statements
|
|
|
Precautionary statements
|
|
Certificate of Analysis
Lot Number