| CAS Number | 1155594-91-4 |
| Catalog Number | AG01EJ7X |
| Chemical Name | 4-Chloro-2-(pyrimidin-2-yl)pyrimidine |
| IUPAC Name | 4-chloro-2-pyrimidin-2-ylpyrimidine |
| InChI | InChI=1S/C8H5ClN4/c9-6-2-5-12-8(13-6)7-10-3-1-4-11-7/h1-5H |
| InChI Key | QRHZETUNAWNYEI-UHFFFAOYSA-N |
| MDL Number | MFCD12107749 |
| Molecular Formula | C8H5ClN4 |
| Molecular Weight | 192.6051 |
| SMILES | ClC1=NC(C2=NC=CC=N2)=NC=C1 |
| Synonyms | SCHEMBL6535291,
4-CHLORO-2-(PYRIMIDIN-2-YL)PYRIMIDINE,
1155594-91-4,
|
| Complexity | 160 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 192.02g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 192.606g/mol |
| Monoisotopic Mass | 192.02g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 51.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.1 |
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Certificate of Analysis
Lot Number