| CAS Number | 555155-08-3 |
| Catalog Number | AG00DO2W(AGN-PC-01NJZH) |
| Chemical Name | 5-Fluoro-7-benzofurancarboxaldehyde |
| IUPAC Name | 5-fluoro-1-benzofuran-7-carbaldehyde |
| InChI | InChI=1S/C9H5FO2/c10-8-3-6-1-2-12-9(6)7(4-8)5-11/h1-5H |
| InChI Key | RLODNYXKDQOEOJ-UHFFFAOYSA-N |
| MDL Number | MFCD18822719 |
| Molecular Formula | C9H5FO2 |
| Molecular Weight | 164.1332 |
| SMILES | FC=1C=C(C2=C(C=CO2)C1)C=O |
| Synonyms | 555155-08-3,
5-Fluoro-1-benzofuran-7-carbaldehyde,
SCHEMBL4348787,
5-Fluorobenzofuran-7-carbaldehyde,
RLODNYXKDQOEOJ-UHFFFAOYSA-N,
5-fluoro-benzofuran-7-carbaldehyde,
5-fluorobenzofuran-7-carboxaldehyde,
ZINC39089060,
AKOS022714132,
5-Fluoro-1-benzo[b]furan-7-carbaldehyde,
7-Benzofurancarboxaldehyde,5-fluoro-(9CI),
7-Benzofurancarboxaldehyde, 5-fluoro- (9CI),
|
| Complexity | 183 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 164.027g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 164.135g/mol |
| Monoisotopic Mass | 164.027g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 30.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.9 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number