| CAS Number | 97711-50-7 |
| Catalog Number | AG01BNMR(AGN-PC-00NU9I) |
| Chemical Name | Methyl 3-fluoro-2-formylbenzoate |
| IUPAC Name | methyl 3-fluoro-2-formylbenzoate |
| InChI | InChI=1S/C9H7FO3/c1-13-9(12)6-3-2-4-8(10)7(6)5-11/h2-5H,1H3 |
| InChI Key | WEYSJOCJFUIKGA-UHFFFAOYSA-N |
| MDL Number | MFCD24685410 |
| Molecular Formula | C9H7FO3 |
| Molecular Weight | 182.1485 |
| SMILES | FC=1C(=C(C(=O)OC)C=CC1)C=O |
| Synonyms | methyl 3-fluoro-2-formylbenzoate,
97711-50-7,
SCHEMBL10652695,
WEYSJOCJFUIKGA-UHFFFAOYSA-N,
ZINC34142685,
FCH2004601,
PC501662,
|
| Complexity | 205 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 182.038g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 182.15g/mol |
| Monoisotopic Mass | 182.038g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 43.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.3 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number