| CAS Number | 1133082-92-4 |
| Catalog Number | AG019XER(AGN-PC-0WOAE6) |
| Chemical Name | 2-chloro-6-(3,5-dimethyl-1H-pyrazol-1-yl)pyrazine |
| IUPAC Name | 2-chloro-6-(3,5-dimethylpyrazol-1-yl)pyrazine |
| InChI | InChI=1S/C9H9ClN4/c1-6-3-7(2)14(13-6)9-5-11-4-8(10)12-9/h3-5H,1-2H3 |
| InChI Key | AKLLGGYKLKOWRX-UHFFFAOYSA-N |
| MDL Number | MFCD11621999 |
| Molecular Formula | C9H9ClN4 |
| Molecular Weight | 208.6476 |
| SMILES | CC1=NN(C2=NC(Cl)=CN=C2)C(C)=C1 |
| Synonyms | 2-chloro-6-(3,5-dimethyl-1H-pyrazol-1-yl)pyrazine,
1133082-92-4,
AC1Q2PJ1,
2-Chloro-6-(3,5-dimethyl-pyrazol-1-yl)-pyrazine,
SCHEMBL2891461,
CTK6C4547,
AKLLGGYKLKOWRX-UHFFFAOYSA-N,
ZINC37066141,
AKOS008126136,
MCULE-2216433836,
NE34302,
EN300-54813,
|
| Complexity | 201 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 208.052g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 208.649g/mol |
| Monoisotopic Mass | 208.052g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 43.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.8 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number