| CAS Number | 114523-63-6 |
| Catalog Number | AG01AG5M(AGN-PC-0NYHUF) |
| Chemical Name | 2-(4-Chlorophenyl)pyrimidin-4-amine |
| IUPAC Name | 2-(4-chlorophenyl)pyrimidin-4-amine |
| InChI | InChI=1S/C10H8ClN3/c11-8-3-1-7(2-4-8)10-13-6-5-9(12)14-10/h1-6H,(H2,12,13,14) |
| InChI Key | FFGMOMZZTKKFSA-UHFFFAOYSA-N |
| MDL Number | MFCD11043787 |
| Molecular Formula | C10H8ClN3 |
| Molecular Weight | 205.6436 |
| SMILES | NC1=NC(C2=CC=C(Cl)C=C2)=NC=C1 |
| Synonyms | 2-(4-chlorophenyl)pyrimidin-4-amine,
114523-63-6,
ZINC50847026,
AKOS011471573,
NE52368,
|
| Complexity | 180 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 205.041g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 205.645g/mol |
| Monoisotopic Mass | 205.041g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 51.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.1 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number