| CAS Number | 1269496-37-8 |
| Catalog Number | AG01BPMF |
| Chemical Name | 3-Fluoro-2-formylbenzoic acid |
| IUPAC Name | 3-fluoro-2-formylbenzoic acid |
| InChI | InChI=1S/C8H5FO3/c9-7-3-1-2-5(8(11)12)6(7)4-10/h1-4H,(H,11,12) |
| InChI Key | JJJVNKHHFHSRSN-UHFFFAOYSA-N |
| MDL Number | MFCD18453664 |
| Molecular Formula | C8H5FO3 |
| Molecular Weight | 168.1219 |
| SMILES | OC(C1=C(C=O)C(F)=CC=C1)=O |
| Synonyms | 3-fluoro-2-formylbenzoic acid,
1269496-37-8,
SCHEMBL10651404,
FCH908357,
ZINC59467107,
AKOS005209310,
PC501640,
|
| Complexity | 193 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 168.022g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 168.123g/mol |
| Monoisotopic Mass | 168.022g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 54.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number