| CAS Number | 1206679-17-5 |
| Catalog Number | AG007PON(AGN-PC-0730SY) |
| Chemical Name | 2-Chloro-4-(1H-Pyrazol-4-Yl)Pyrimidine |
| IUPAC Name | 2-chloro-4-(1H-pyrazol-4-yl)pyrimidine |
| InChI | InChI=1S/C7H5ClN4/c8-7-9-2-1-6(12-7)5-3-10-11-4-5/h1-4H,(H,10,11) |
| InChI Key | ZOVWDSGUKDHRBV-UHFFFAOYSA-N |
| MDL Number | MFCD13180472 |
| Molecular Formula | C7H5ClN4 |
| Molecular Weight | 180.5944 |
| SMILES | Clc1nccc(n1)c1c[nH]nc1 |
| Synonyms | 2-chloro-4-(1H-pyrazol-4-yl)pyrimidine,
1206679-17-5,
2-CHLORO-4-(1H-PYRAZOLE-4-YL)PYRIMIDINE,
SCHEMBL19211486,
CTK8B8333,
DTXSID90657961,
3578AA,
ANW-60173,
MFCD13180472,
ZINC36377915,
FCH1163516,
AJ-92676,
AX8232983,
TC-148918,
S14-0885,
C7H5ClN4,
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| Complexity | 154 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 180.02g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 180.595g/mol |
| Monoisotopic Mass | 180.02g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 54.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.1 |
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Certificate of Analysis
Lot Number