| CAS Number | 1414029-22-3 |
| Catalog Number | AG009WSZ(AGN-PC-0WADOR) |
| Chemical Name | Methyl 1-cyclopropyl-2-methyl-1,3-benzodiazole-5-carboxylate |
| IUPAC Name | methyl 1-cyclopropyl-2-methylbenzimidazole-5-carboxylate |
| InChI | InChI=1S/C13H14N2O2/c1-8-14-11-7-9(13(16)17-2)3-6-12(11)15(8)10-4-5-10/h3,6-7,10H,4-5H2,1-2H3 |
| InChI Key | WYKSIVBCCDUBFX-UHFFFAOYSA-N |
| MDL Number | MFCD22574967 |
| Molecular Formula | C13H14N2O2 |
| Molecular Weight | 230.2625 |
| SMILES | COC(=O)c1ccc2c(c1)nc(n2C1CC1)C |
| Synonyms | METHYL 1-CYCLOPROPYL-2-METHYL-1,3-BENZODIAZOLE-5-CARBOXYLATE,
1414029-22-3,
KM5706,
ZINC75972671,
AKOS023136832,
V3096,
C13H14N2O2,
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| Complexity | 317 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 230.106g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 230.267g/mol |
| Monoisotopic Mass | 230.106g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 44.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.1 |
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Certificate of Analysis
Lot Number