| CAS Number | 34654-87-0 |
| Catalog Number | AG01DWCZ |
| Chemical Name | 6-Chloro-3-cyclohexylpyrimidine-2,4(1H,3H)-dione |
| IUPAC Name | 6-chloro-3-cyclohexyl-1H-pyrimidine-2,4-dione |
| InChI | InChI=1S/C10H13ClN2O2/c11-8-6-9(14)13(10(15)12-8)7-4-2-1-3-5-7/h6-7H,1-5H2,(H,12,15) |
| InChI Key | NKVKETRQSFONJI-UHFFFAOYSA-N |
| MDL Number | MFCD19288713 |
| Molecular Formula | C10H13ClN2O2 |
| Molecular Weight | 228.6754 |
| SMILES | ClC1NC(=O)N(C2CCCCC2)C(=O)C=1 |
| Synonyms | 6-Chloro-3-cyclohexylpyrimidine-2,4(1H,3H)-dione,
34654-87-0,
SCHEMBL3472019,
ZINC72206735,
FT-0710468,
|
| Complexity | 321 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 228.067g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 228.676g/mol |
| Monoisotopic Mass | 228.067g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 49.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.9 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number