| CAS Number | 1119505-56-4 |
| Catalog Number | AG009470(AGN-PC-0WA4JV) |
| Chemical Name | 1-Cyclopropyl-2-methyl-1,3-benzodiazole-5-carbonitrile |
| IUPAC Name | 1-cyclopropyl-2-methylbenzimidazole-5-carbonitrile |
| InChI | InChI=1S/C12H11N3/c1-8-14-11-6-9(7-13)2-5-12(11)15(8)10-3-4-10/h2,5-6,10H,3-4H2,1H3 |
| InChI Key | RYHGFVIXEXFHJP-UHFFFAOYSA-N |
| MDL Number | MFCD13881257 |
| Molecular Formula | C12H11N3 |
| Molecular Weight | 197.2358 |
| SMILES | N#Cc1ccc2c(c1)nc(n2C1CC1)C |
| Synonyms | 1-CYCLOPROPYL-2-METHYL-1,3-BENZODIAZOLE-5-CARBONITRILE,
1119505-56-4,
KM3917,
ZINC20159911,
AKOS014372505,
Z7361,
C12H11N3,
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| Complexity | 301 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 197.095g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 197.241g/mol |
| Monoisotopic Mass | 197.095g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 41.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2 |
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Certificate of Analysis
Lot Number