| CAS Number | 1415819-88-3 |
| Catalog Number | AG009WSX(AGN-PC-0WADOM) |
| Chemical Name | Methyl 1-cyclohexyl-2-methyl-1,3-benzodiazole-5-carboxylate |
| IUPAC Name | methyl 1-cyclohexyl-2-methylbenzimidazole-5-carboxylate |
| InChI | InChI=1S/C16H20N2O2/c1-11-17-14-10-12(16(19)20-2)8-9-15(14)18(11)13-6-4-3-5-7-13/h8-10,13H,3-7H2,1-2H3 |
| InChI Key | YUKWTOPVZFBPIA-UHFFFAOYSA-N |
| MDL Number | MFCD22586701 |
| Molecular Formula | C16H20N2O2 |
| Molecular Weight | 272.3422 |
| SMILES | COC(=O)c1ccc2c(c1)nc(n2C1CCCCC1)C |
| Synonyms | METHYL 1-CYCLOHEXYL-2-METHYL-1,3-BENZODIAZOLE-5-CARBOXYLATE,
1415819-88-3,
KM5710,
ZINC95496064,
V3116,
C16H20N2O2,
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| Complexity | 354 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 272.152g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 20 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 272.348g/mol |
| Monoisotopic Mass | 272.152g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 44.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.4 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number