| CAS Number | 916764-89-1 |
| Catalog Number | AG00IGU5(AGN-PC-0VUI8C) |
| Chemical Name | 6-Chloro-1-(4-methoxybenzyl)-3-methylpyrimidine-2,4(1H,3H)-dione |
| IUPAC Name | 6-chloro-1-[(4-methoxyphenyl)methyl]-3-methylpyrimidine-2,4-dione |
| InChI | InChI=1S/C13H13ClN2O3/c1-15-12(17)7-11(14)16(13(15)18)8-9-3-5-10(19-2)6-4-9/h3-7H,8H2,1-2H3 |
| InChI Key | NINZAMOQCXMUNF-UHFFFAOYSA-N |
| MDL Number | MFCD11111307 |
| Molecular Formula | C13H13ClN2O3 |
| Molecular Weight | 280.7069 |
| SMILES | COc1ccc(Cn2c(Cl)cc(=O)n(C)c2=O)cc1 |
| Synonyms | 916764-89-1,
6-Chloro-1-(4-methoxybenzyl)-3-methylpyrimidine-2,4(1H,3H)-dione,
6-CHLORO-1-[(4-METHOXYPHENYL)METHYL]-3-METHYL-2,4(1H,3H)-PYRIMIDINEDIONE,
SCHEMBL4847620,
DTXSID30701533,
NINZAMOQCXMUNF-UHFFFAOYSA-N,
MFCD11111307,
AKOS027255802,
ZINC167397288,
CS-W000276,
6-chloro-1-[(4-methoxyphenyl)methyl]-3-methylpyrimidine-2,4-dione,
6-Chloro-1-[(4-methoxyphenyl)methyl]-3-methylpyrimidine-2,4(1H,3H)-dione,
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| Complexity | 403 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 280.061g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 19 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 280.708g/mol |
| Monoisotopic Mass | 280.061g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 49.8A^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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