| CAS Number | 1461715-07-0 |
| Catalog Number | AG01A6TY(AGN-PC-0WO8Y3) |
| Chemical Name | 2-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)acetic acid |
| IUPAC Name | 2-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)acetic acid |
| InChI | InChI=1S/C10H9ClO3/c11-8-3-6-1-2-14-10(6)7(4-8)5-9(12)13/h3-4H,1-2,5H2,(H,12,13) |
| InChI Key | DXUFAVXSLCWJIL-UHFFFAOYSA-N |
| MDL Number | MFCD25970432 |
| Molecular Formula | C10H9ClO3 |
| Molecular Weight | 212.6297 |
| SMILES | OC(CC1=C2C(CCO2)=CC(Cl)=C1)=O |
| Synonyms | 2-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)acetic acid,
1461715-07-0,
ZINC95348310,
AKOS023814914,
NE45654,
|
| Complexity | 231 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 212.024g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 212.629g/mol |
| Monoisotopic Mass | 212.024g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 46.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number