| CAS Number | 99357-41-2 |
| Catalog Number | AG01BV7O |
| Chemical Name | 4-(dimethylamino)-2,5-difluorobenzaldehyde |
| IUPAC Name | 4-(dimethylamino)-2,5-difluorobenzaldehyde |
| InChI | InChI=1S/C9H9F2NO/c1-12(2)9-4-7(10)6(5-13)3-8(9)11/h3-5H,1-2H3 |
| InChI Key | LYZXAPALPIXQRZ-UHFFFAOYSA-N |
| MDL Number | MFCD20926209 |
| Molecular Formula | C9H9F2NO |
| Molecular Weight | 185.1707 |
| SMILES | CN(C1=C(F)C=C(C=O)C(F)=C1)C |
| Synonyms | 4-(dimethylamino)-2,5-difluorobenzaldehyde,
99357-41-2,
SCHEMBL15982245,
ZINC36381078,
NCGC00184199-01,
AT-051/43421152,
|
| Complexity | 187 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 185.065g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 185.174g/mol |
| Monoisotopic Mass | 185.065g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 20.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.7 |
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Certificate of Analysis
Lot Number