| CAS Number | 1823371-33-0 |
| Catalog Number | AG01DTRW |
| Chemical Name | 2,6-Dichloro-4-(dimethylamino)nicotinaldehyde |
| IUPAC Name | 2,6-dichloro-4-(dimethylamino)pyridine-3-carbaldehyde |
| InChI | InChI=1S/C8H8Cl2N2O/c1-12(2)6-3-7(9)11-8(10)5(6)4-13/h3-4H,1-2H3 |
| InChI Key | KVTAHBBCANJEDA-UHFFFAOYSA-N |
| MDL Number | MFCD24873202 |
| Molecular Formula | C8H8Cl2N2O |
| Molecular Weight | 219.0679 |
| SMILES | O=CC1=C(N(C)C)C=C(Cl)N=C1Cl |
| Synonyms | 2,6-Dichloro-4-(dimethylamino)nicotinaldehyde,
1823371-33-0,
MFCD24873202,
ZINC95933624,
AKOS022186409,
EBD2840137,
AS-48486,
AJ-138153,
CS-0030348,
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| Complexity | 189 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 218.001g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 219.065g/mol |
| Monoisotopic Mass | 218.001g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 33.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.4 |
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Certificate of Analysis
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