| CAS Number | 68740-35-2 |
| Catalog Number | AG00FGYF(AGN-PC-0WADST) |
| Chemical Name | Methyl 2-methyl-1-propyl-1,3-benzodiazole-5-carboxylate |
| IUPAC Name | methyl 2-methyl-1-propylbenzimidazole-5-carboxylate |
| InChI | InChI=1S/C13H16N2O2/c1-4-7-15-9(2)14-11-8-10(13(16)17-3)5-6-12(11)15/h5-6,8H,4,7H2,1-3H3 |
| InChI Key | HLCUMQMYJXGGGN-UHFFFAOYSA-N |
| MDL Number | MFCD22574963 |
| Molecular Formula | C13H16N2O2 |
| Molecular Weight | 232.2783 |
| SMILES | CCCn1c(C)nc2c1ccc(c2)C(=O)OC |
| Synonyms | Methyl 2-methyl-1-propyl-1,3-benzodiazole-5-carboxylate,
68740-35-2,
SCHEMBL11374354,
ZINC59745314,
AKOS027288934,
V7294,
C13H16N2O2,
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| Complexity | 283 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 232.121g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 232.283g/mol |
| Monoisotopic Mass | 232.121g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 44.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.5 |
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Certificate of Analysis
Lot Number