| CAS Number | 1120244-55-4 |
| Catalog Number | AG009474(AGN-PC-0WA4JR) |
| Chemical Name | 1-Cyclopropyl-1,3-benzodiazole-5-carbonitrile |
| IUPAC Name | 1-cyclopropylbenzimidazole-5-carbonitrile |
| InChI | InChI=1S/C11H9N3/c12-6-8-1-4-11-10(5-8)13-7-14(11)9-2-3-9/h1,4-5,7,9H,2-3H2 |
| InChI Key | SXCYPHZGXDLIHJ-UHFFFAOYSA-N |
| MDL Number | MFCD13881256 |
| Molecular Formula | C11H9N3 |
| Molecular Weight | 183.2093 |
| SMILES | N#Cc1ccc2c(c1)ncn2C1CC1 |
| Synonyms | 1-Cyclopropyl-1,3-benzodiazole-5-carbonitrile,
1120244-55-4,
ZINC20159896,
AKOS014372742,
Z7365,
C11H9N3,
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| Complexity | 276 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 183.08g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 183.214g/mol |
| Monoisotopic Mass | 183.08g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 41.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.6 |
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Certificate of Analysis
Lot Number