| CAS Number | 876710-73-5 |
| Catalog Number | AG004H6C(AGN-PC-0WB3F5) |
| Chemical Name | 2-(2-Methylphenyl)pyrimidine-5-carbaldehyde |
| IUPAC Name | 2-(2-methylphenyl)pyrimidine-5-carbaldehyde |
| InChI | InChI=1S/C12H10N2O/c1-9-4-2-3-5-11(9)12-13-6-10(8-15)7-14-12/h2-8H,1H3 |
| InChI Key | YEDAXYCLTUUWOY-UHFFFAOYSA-N |
| MDL Number | MFCD07643179 |
| Molecular Formula | C12H10N2O |
| Molecular Weight | 198.2206 |
| SMILES | CC1=C(C2=NC=C(C=O)C=N2)C=CC=C1 |
| Synonyms | 2-(2-methylphenyl)pyrimidine-5-carbaldehyde,
876710-73-5,
2-(o-Tolyl)pyrimidine-5-carbaldehyde,
BAS 08767559,
AC1O5GMD,
ASISCHEM C63556,
CTK5F8835,
DTXSID50424353,
ZINC4503365,
2-o-Tolyl-pyrimidine-5-carbaldehyde,
4771AH,
MFCD07643179,
AKOS000283939,
AJ-51274,
2-(2-methylphenyl)-5-pyrimidinecarbaldehyde,
Y-3150,
2-(2-methylphenyl)pyrimidine-5-carbaldehyde, AldrichCPR,
F9995-2606,
C12H10N2O,
CID6483894,
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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 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
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