| CAS Number | 915921-67-4 |
| Catalog Number | AG00IGRZ(AGN-PC-0WB3H2) |
| Chemical Name | 2-(3-Methylphenyl)-5-pyrimidinecarboxaldehyde |
| IUPAC Name | 2-(3-methylphenyl)pyrimidine-5-carbaldehyde |
| InChI | InChI=1S/C12H10N2O/c1-9-3-2-4-11(5-9)12-13-6-10(8-15)7-14-12/h2-8H,1H3 |
| InChI Key | CMYMYMDKEWWXKA-UHFFFAOYSA-N |
| MDL Number | MFCD08059844 |
| Molecular Formula | C12H10N2O |
| Molecular Weight | 198.2206 |
| SMILES | C1(C2=CC=CC(C)=C2)=NC=C(C=N1)C=O |
| Synonyms | 2-(3-methylphenyl)pyrimidine-5-carbaldehyde,
915921-67-4,
2-(m-Tolyl)pyrimidine-5-carbaldehyde,
2-(3-methylphenyl)-5-pyrimidinecarbaldehyde,
2-m-Tolyl-pyrimidine-5-carbaldehyde,
ZINC8730980,
MFCD08059844,
AKOS000283971,
MCULE-2802483839,
Y-3418,
2-(3-methylphenyl)pyrimidine-5-carbaldehyde, AldrichCPR,
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| Complexity | 212 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 198.079g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 198.225g/mol |
| Monoisotopic Mass | 198.079g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 42.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.7 |
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Certificate of Analysis
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