| CAS Number | 89197-63-7 |
| Catalog Number | AG00IFLK(AGN-PC-00KWBJ) |
| Chemical Name | 2-Benzofurancarboxylic acid, 5-fluoro-2,3-dihydro- |
| IUPAC Name | 5-fluoro-2,3-dihydro-1-benzofuran-2-carboxylic acid |
| InChI | InChI=1S/C9H7FO3/c10-6-1-2-7-5(3-6)4-8(13-7)9(11)12/h1-3,8H,4H2,(H,11,12) |
| InChI Key | QLNKTQSTCJIKOC-UHFFFAOYSA-N |
| MDL Number | MFCD11186818 |
| Molecular Formula | C9H7FO3 |
| Molecular Weight | 182.1485 |
| SMILES | OC(C1OC2=C(C=C(C=C2)F)C1)=O |
| Synonyms | 89197-63-7,
5-Fluoro-2,3-dihydrobenzofuran-2-carboxylic acid,
5-fluoro-2,3-dihydro-1-benzofuran-2-carboxylic acid,
5-fluoro-2,3-dihydro-benzofuran-2-carboxylic acid,
SCHEMBL8888891,
QLNKTQSTCJIKOC-UHFFFAOYSA-N,
AKOS005218338,
MCULE-8917946645,
NE38600,
DB-123978,
EN300-83337,
2-Benzofurancarboxylic acid, 5-fluoro-2,3-dihydro-,
F8881-7002,
459810-97-0,
|
| Complexity | 219 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 182.037922g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 182.15g/mol |
| Monoisotopic Mass | 182.037922g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 46.5Ų |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.6 |
GHS Hazard and Precautionary Statements
| Symbol: | |
|
Hazard statements
|
|
|
Precautionary statements
|
|
Certificate of Analysis
Lot Number