| CAS Number | 6483-96-1 |
| Catalog Number | AG00F3UU(AGN-PC-0L385N) |
| Chemical Name | 4,6-diphenylpyrimidine-2-carboxylic acid |
| IUPAC Name | 4,6-diphenylpyrimidine-2-carboxylic acid |
| InChI | InChI=1S/C17H12N2O2/c20-17(21)16-18-14(12-7-3-1-4-8-12)11-15(19-16)13-9-5-2-6-10-13/h1-11H,(H,20,21) |
| InChI Key | DEAYYMLJCJMWHG-UHFFFAOYSA-N |
| MDL Number | MFCD00194910 |
| Molecular Formula | C17H12N2O2 |
| Molecular Weight | 276.2894 |
| SMILES | OC(=O)c1nc(cc(n1)-c1ccccc1)-c1ccccc1 |
| Synonyms | 4,6-diphenylpyrimidine-2-carboxylic Acid,
6483-96-1,
2-Pyrimidinecarboxylic acid, 4,6-diphenyl-,
AC1N1CGY,
SCHEMBL4499576,
CTK2A2863,
DTXSID70398360,
HMS1578A17,
AKOS030530493,
4,6-diphenyl-2-pyrimidinecarboxylic acid,
4,6-diphenyl-pyrimidine-2-carboxylic acid,
CS-0059957,
2-Pyrimidinecarboxylic acid,
CID3978963,
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| Complexity | 323 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 276.09g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 21 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 276.295g/mol |
| Monoisotopic Mass | 276.09g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 63.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.4 |
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Certificate of Analysis
Lot Number