| CAS Number | 1169490-60-1 |
| Catalog Number | AG01C1EF |
| Chemical Name | 7-Chloro-3-benzofurancarboxylic acid |
| IUPAC Name | 7-chloro-1-benzofuran-3-carboxylic acid |
| InChI | InChI=1S/C9H5ClO3/c10-7-3-1-2-5-6(9(11)12)4-13-8(5)7/h1-4H,(H,11,12) |
| InChI Key | MOPRSSLPVFTAGU-UHFFFAOYSA-N |
| MDL Number | MFCD21234549 |
| Molecular Formula | C9H5ClO3 |
| Molecular Weight | 196.5872 |
| SMILES | O=C(C1=COC2=C(Cl)C=CC=C12)O |
| Synonyms | 7-chloro-1-benzofuran-3-carboxylic acid,
1169490-60-1,
SCHEMBL4007022,
AKOS014776399,
|
| Complexity | 219 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 195.993g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 196.586g/mol |
| Monoisotopic Mass | 195.993g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 50.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.5 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number