| CAS Number | 946578-32-1 |
| Catalog Number | AG01BB5N |
| Chemical Name | 2-(Difluoromethyl)pyridine-5-carboxaldehyde |
| IUPAC Name | 6-(difluoromethyl)pyridine-3-carbaldehyde |
| InChI | InChI=1S/C7H5F2NO/c8-7(9)6-2-1-5(4-11)3-10-6/h1-4,7H |
| InChI Key | UBMKXPLMFMGIMS-UHFFFAOYSA-N |
| MDL Number | MFCD18256103 |
| Molecular Formula | C7H5F2NO |
| Molecular Weight | 157.1175 |
| SMILES | O=CC1=CC=C(C(F)F)N=C1 |
| Synonyms | 946578-32-1,
2-(Difluoromethyl)pyridine-5-carboxaldehyde,
6-(DIFLUOROMETHYL)PYRIDINE-3-CARBALDEHYDE,
6-(DIFLUOROMETHYL)-3-PYRIDINECARBOXALDEHYDE,
SCHEMBL475367,
ZINC95763666,
AB74731,
6-(DIFLUOROMETHYL)NICOTINALDEHYDE,
3-Pyridinecarboxaldehyde, 6-(difluoromethyl)-,
|
| Complexity | 140 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 157.034g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 157.12g/mol |
| Monoisotopic Mass | 157.034g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 30A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1 |
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Certificate of Analysis
Lot Number