| CAS Number | 108551-58-2 |
| Catalog Number | AG0083KM(AGN-PC-0000ZR) |
| Chemical Name | 7-Benzofurancarboxylic acid, 5-chloro-2,3-dihydro- |
| IUPAC Name | 5-chloro-2,3-dihydro-1-benzofuran-7-carboxylic acid |
| InChI | InChI=1S/C9H7ClO3/c10-6-3-5-1-2-13-8(5)7(4-6)9(11)12/h3-4H,1-2H2,(H,11,12) |
| InChI Key | SGPAPRPKRANLEF-UHFFFAOYSA-N |
| MDL Number | MFCD20482622 |
| Molecular Formula | C9H7ClO3 |
| Molecular Weight | 198.6031 |
| SMILES | ClC=1C=C(C2=C(CCO2)C1)C(=O)O |
| Synonyms | 108551-58-2,
5-chloro-2,3-dihydro-1-benzofuran-7-carboxylic acid,
5-chloro-2,3-dihydrobenzofuran-7-carboxylic acid,
7-Benzofurancarboxylic acid, 5-chloro-2,3-dihydro-,
ACMC-20mbl3,
SCHEMBL4387990,
CTK0D6298,
DTXSID20553806,
SGPAPRPKRANLEF-UHFFFAOYSA-N,
ZINC34202093,
AKOS022646043,
NE46822,
7-Benzofurancarboxylic acid,5-chloro-2,3-dihydro-,
|
| Complexity | 219 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 198.008g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 198.602g/mol |
| Monoisotopic Mass | 198.008g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 46.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.1 |
GHS Hazard and Precautionary Statements
| Symbol: | |
|
Hazard statements
|
|
|
Precautionary statements
|
|
Certificate of Analysis
Lot Number