| CAS Number | 66204-31-7 |
| Catalog Number | AG01BAK9(AGN-PC-042Y6A) |
| Chemical Name | 3-Chlorofuran-2-carboxylic acid |
| IUPAC Name | 3-chlorofuran-2-carboxylic acid |
| InChI | InChI=1S/C5H3ClO3/c6-3-1-2-9-4(3)5(7)8/h1-2H,(H,7,8) |
| InChI Key | ZVMWPHWOEUYUKT-UHFFFAOYSA-N |
| MDL Number | MFCD12828428 |
| Molecular Formula | C5H3ClO3 |
| Molecular Weight | 146.5285 |
| SMILES | OC(C1=C(Cl)C=CO1)=O |
| Synonyms | 3-chlorofuran-2-carboxylic acid,
66204-31-7,
2-Furancarboxylic acid, 3-chloro-,
SCHEMBL4947583,
ZINC82408920,
AKOS006379056,
Z2510259606,
|
| Complexity | 125 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 145.977g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 9 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 146.526g/mol |
| Monoisotopic Mass | 145.977g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 50.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.5 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number