| CAS Number | 1162674-68-1 |
| Catalog Number | AG01BXPD |
| Chemical Name | 2,4-Difluoro-5-formylbenzoic acid |
| IUPAC Name | 2,4-difluoro-5-formylbenzoic acid |
| InChI | InChI=1S/C8H4F2O3/c9-6-2-7(10)5(8(12)13)1-4(6)3-11/h1-3H,(H,12,13) |
| InChI Key | YHYYHMVYTOLOLJ-UHFFFAOYSA-N |
| MDL Number | MFCD12196969 |
| Molecular Formula | C8H4F2O3 |
| Molecular Weight | 186.1124 |
| SMILES | OC(C1=C(F)C=C(F)C(C=O)=C1)=O |
| Synonyms | 2,4-DIFLUORO-5-FORMYLBENZOIC ACID,
1162674-68-1,
SCHEMBL20140332,
ZINC35570453,
AKOS015966852,
|
| 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 |
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Certificate of Analysis
Lot Number