| CAS Number | 637041-83-9 |
| Catalog Number | AG00EKOV(AGN-PC-0WAD0O) |
| Chemical Name | Ethyl 1-cyclohexyl-1,3-benzodiazole-5-carboxylate |
| IUPAC Name | ethyl 1-cyclohexylbenzimidazole-5-carboxylate |
| InChI | InChI=1S/C16H20N2O2/c1-2-20-16(19)12-8-9-15-14(10-12)17-11-18(15)13-6-4-3-5-7-13/h8-11,13H,2-7H2,1H3 |
| InChI Key | HRFCAXLCFMLFJM-UHFFFAOYSA-N |
| MDL Number | MFCD25953939 |
| Molecular Formula | C16H20N2O2 |
| Molecular Weight | 272.3422 |
| SMILES | CCOC(=O)c1ccc2c(c1)ncn2C1CCCCC1 |
| Synonyms | ETHYL 1-CYCLOHEXYL-1,3-BENZODIAZOLE-5-CARBOXYLATE,
637041-83-9,
KM0777,
ZINC95496135,
AKOS026673759,
V7045,
1-Cyclohexyl-1H-benzimidazole-5-carboxylic acid ethyl ester,
C16H20N2O2,
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| Complexity | 341 |
| 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 | 4 |
| 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