| CAS Number | 77232-13-4 |
| Catalog Number | AG01DHGA |
| Chemical Name | 2-(p-Tolyl)pyrimidine |
| IUPAC Name | 2-(4-methylphenyl)pyrimidine |
| InChI | InChI=1S/C11H10N2/c1-9-3-5-10(6-4-9)11-12-7-2-8-13-11/h2-8H,1H3 |
| InChI Key | YQHSRAQHJSBAEO-UHFFFAOYSA-N |
| MDL Number | MFCD08701658 |
| Molecular Formula | C11H10N2 |
| Molecular Weight | 170.2105 |
| SMILES | C1(=CC=C(C=C1)C1=NC=CC=N1)C |
| Synonyms | 2-(p-Tolyl)pyrimidine,
77232-13-4,
2-(4-methylphenyl)pyrimidine,
2-(4'-methylphenyl)pyrimidine,
SCHEMBL2556575,
MFCD08701658,
ZINC26544517,
AKOS004116541,
|
| Complexity | 144 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 170.084g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 170.215g/mol |
| Monoisotopic Mass | 170.084g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 25.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.2 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number