| CAS Number | 1203662-77-4 |
| Catalog Number | AG01C7MO |
| Chemical Name | 2,4-Difluoro-3-formylbenzoic acid |
| IUPAC Name | 2,4-difluoro-3-formylbenzoic acid |
| InChI | InChI=1S/C8H4F2O3/c9-6-2-1-4(8(12)13)7(10)5(6)3-11/h1-3H,(H,12,13) |
| InChI Key | QYBCFUZTCWGXAJ-UHFFFAOYSA-N |
| MDL Number | MFCD20660537 |
| Molecular Formula | C8H4F2O3 |
| Molecular Weight | 186.1124 |
| SMILES | FC1=C(C(=O)O)C=CC(=C1C=O)F |
| Synonyms | 2,4-Difluoro-3-formyl-benzoic acid,
2,4-difluoro-3-formylbenzoic acid,
1203662-77-4,
1203662-27-4,
SCHEMBL1578952,
QYBCFUZTCWGXAJ-UHFFFAOYSA-N,
ZINC75927710,
|
| Complexity | 219 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 186.013g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 186.114g/mol |
| Monoisotopic Mass | 186.013g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 54.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.1 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number