| CAS Number | 1312556-72-1 |
| Catalog Number | AG00HSEL(AGN-PC-0WNGI2) |
| Chemical Name | 5-Fluorobenzofuran-6-carboxylic acid |
| IUPAC Name | 5-fluoro-1-benzofuran-6-carboxylic acid |
| InChI | InChI=1S/C9H5FO3/c10-7-3-5-1-2-13-8(5)4-6(7)9(11)12/h1-4H,(H,11,12) |
| InChI Key | HLWYOECYLYMHKX-UHFFFAOYSA-N |
| MDL Number | MFCD20661151 |
| Molecular Formula | C9H5FO3 |
| Molecular Weight | 180.1326 |
| SMILES | OC(=O)c1cc2occc2cc1F |
| Synonyms | 5-Fluorobenzofuran-6-carboxylic acid,
1312556-72-1,
6-Benzofurancarboxylicacid,5-fluoro-,
SCHEMBL2011922,
MFCD20661151,
ZINC117773453,
6-Benzofurancarboxylic acid, 5-fluoro-,
5-fluoro-1-benzofuran-6-carboxylic acid,
AK554600,
DS-19645,
CS-0043175,
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| Complexity | 219 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 180.022g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 180.134g/mol |
| Monoisotopic Mass | 180.022g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 50.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number