| CAS Number | 36335-89-4 |
| Catalog Number | AG00I77M(AGN-PC-0WQVOB) |
| Chemical Name | 2-Chloro-4-methoxy-6-phenyl-1,3,5-triazine |
| IUPAC Name | 2-chloro-4-methoxy-6-phenyl-1,3,5-triazine |
| InChI | InChI=1S/C10H8ClN3O/c1-15-10-13-8(12-9(11)14-10)7-5-3-2-4-6-7/h2-6H,1H3 |
| InChI Key | JYPBGEPRGFCZFB-UHFFFAOYSA-N |
| MDL Number | MFCD19544165 |
| Molecular Formula | C10H8ClN3O |
| Molecular Weight | 221.6430 |
| SMILES | COC1=NC(=NC(=N1)Cl)C2=CC=CC=C2 |
| Synonyms | 2-chloro-4-methoxy-6-phenyl-1,3,5-triazine,
36335-89-4,
MFCD19544165,
ZINC72192382,
AKOS014984319,
CS-0036245,
|
| Complexity | 199 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 221.036g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 221.644g/mol |
| Monoisotopic Mass | 221.036g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 47.9A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.3 |
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Certificate of Analysis
Lot Number