| CAS Number | 1707394-13-5 |
| Catalog Number | AG01A4V8 |
| Chemical Name | 4-chloro-8-methyl-5,6,7,8-tetrahydropteridin-6-one |
| IUPAC Name | 4-chloro-8-methyl-5,7-dihydropteridin-6-one |
| InChI | InChI=1S/C7H7ClN4O/c1-12-2-4(13)11-5-6(8)9-3-10-7(5)12/h3H,2H2,1H3,(H,11,13) |
| InChI Key | GTGYLCJIIGSJPX-UHFFFAOYSA-N |
| MDL Number | MFCD27981091 |
| Molecular Formula | C7H7ClN4O |
| Molecular Weight | 198.6097 |
| SMILES | CN1C2=C(C(=NC=N2)Cl)NC(=O)C1 |
| Synonyms | 4-chloro-8-methyl-5,6,7,8-tetrahydropteridin-6-one,
1707394-13-5,
ZINC217467102,
|
| Complexity | 225 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 198.031g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 198.61g/mol |
| Monoisotopic Mass | 198.031g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 58.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.6 |
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Certificate of Analysis
Lot Number