| CAS Number | 1890953-67-9 |
| Catalog Number | AG01BVSV |
| Chemical Name | 2,5-Difluoro-4-formylbenzoic acid |
| IUPAC Name | 2,5-difluoro-4-formylbenzoic acid |
| InChI | InChI=1S/C8H4F2O3/c9-6-2-5(8(12)13)7(10)1-4(6)3-11/h1-3H,(H,12,13) |
| InChI Key | LIBRYAQSVXEDNN-UHFFFAOYSA-N |
| MDL Number | MFCD30497656 |
| Molecular Formula | C8H4F2O3 |
| Molecular Weight | 186.1124 |
| SMILES | O=C(O)C1=CC(F)=C(C=O)C=C1F |
| Synonyms | 2,5-Fifluoro-4-formylbenzoic acid,
1890953-67-9,
2,5-difluoro-4-formylbenzoic acid,
MFCD30497656,
ZINC257996976,
|
| 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