| CAS Number | 1206969-28-9 |
| Catalog Number | AG00HFLE |
| Chemical Name | 4,6-Dichloro-2-(pyrrolidin-1-yl)pyrimidine-5-carbaldehyde |
| IUPAC Name | 4,6-dichloro-2-pyrrolidin-1-ylpyrimidine-5-carbaldehyde |
| InChI | InChI=1S/C9H9Cl2N3O/c10-7-6(5-15)8(11)13-9(12-7)14-3-1-2-4-14/h5H,1-4H2 |
| InChI Key | QPQPNBHOKOYKQT-UHFFFAOYSA-N |
| MDL Number | MFCD14585355 |
| Molecular Formula | C9H9Cl2N3O |
| Molecular Weight | 246.0933 |
| SMILES | ClC1=C(C=O)C(Cl)=NC(N2CCCC2)=N1 |
| Synonyms | 4,6-dichloro-2-(pyrrolidin-1-yl)pyrimidine-5-carbaldehyde,
1206969-28-9,
4,6-dichloro-2-pyrrolidin-1-ylpyrimidine-5-carbaldehyde,
MFCD14585355,
ZINC40449977,
AS-36499,
BP-11765,
|
| Complexity | 223 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 245.012g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 246.091g/mol |
| Monoisotopic Mass | 245.012g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 46.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.5 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number