| CAS Number | 1231943-08-0 |
| Catalog Number | AG000K52(AGN-PC-0WCY9P) |
| Chemical Name | 2-Chloro-5-(1-methyl-1H-pyrazol-4-YL)pyrimidine |
| IUPAC Name | 2-chloro-5-(1-methylpyrazol-4-yl)pyrimidine |
| InChI | InChI=1S/C8H7ClN4/c1-13-5-7(4-12-13)6-2-10-8(9)11-3-6/h2-5H,1H3 |
| InChI Key | PFVONNVFQLOLEA-UHFFFAOYSA-N |
| MDL Number | MFCD17926235 |
| Molecular Formula | C8H7ClN4 |
| Molecular Weight | 194.6210 |
| SMILES | CN1N=CC(C2=CN=C(Cl)N=C2)=C1 |
| Synonyms | 2-CHLORO-5-(1-METHYL-1H-PYRAZOL-4-YL)PYRIMIDINE,
1231943-08-0,
Pyrimidine, 2-chloro-5-(1-methyl-1H-pyrazol-4-yl)-,
SCHEMBL2220124,
PFVONNVFQLOLEA-UHFFFAOYSA-N,
MFCD17926235,
ZINC66054581,
FCH1150011,
AS-35496,
DA-13972,
AX8266450,
FT-0709227,
X-2255,
Pyrimidine,2-chloro-5-(1-methyl-1H-pyrazol-4-yl)-,
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| Complexity | 170 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 194.036g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 194.622g/mol |
| Monoisotopic Mass | 194.036g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 43.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.1 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
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