| CAS Number | 913322-47-1 |
| Catalog Number | AG00GYF1(AGN-PC-0WB2R5) |
| Chemical Name | 4-(3-CHLOROPHENYL)PYRIMIDIN-2-AMINE |
| IUPAC Name | 4-(3-chlorophenyl)pyrimidin-2-amine |
| InChI | InChI=1S/C10H8ClN3/c11-8-3-1-2-7(6-8)9-4-5-13-10(12)14-9/h1-6H,(H2,12,13,14) |
| InChI Key | VKXBPDWBNXTLPW-UHFFFAOYSA-N |
| MDL Number | MFCD07381839 |
| Molecular Formula | C10H8ClN3 |
| Molecular Weight | 205.6436 |
| SMILES | ClC=1C=C(C=CC1)C1=NC(=NC=C1)N |
| Synonyms | 913322-47-1,
4-(3-CHLOROPHENYL)PYRIMIDIN-2-AMINE,
2-AMINO-4-(3-CHLOROPHENYL)PYRIMIDINE,
CTK5G9317,
DTXSID60694984,
ALBB-031620,
KS-00002BD9,
MFCD07381839,
ZINC44713505,
AKOS011764052,
SS-4779,
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| Complexity | 188 |
| 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
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Certificate of Analysis
Lot Number