| CAS Number | 1820718-67-9 |
| Catalog Number | AG00I12K(AGN-PC-0WOCHD) |
| Chemical Name | 7-Bromo-1-cyclohexyl-1,3-benzodiazole-5-carbonitrile |
| IUPAC Name | 7-bromo-1-cyclohexylbenzimidazole-5-carbonitrile |
| InChI | InChI=1S/C14H14BrN3/c15-12-6-10(8-16)7-13-14(12)18(9-17-13)11-4-2-1-3-5-11/h6-7,9,11H,1-5H2 |
| InChI Key | QHQWPIPNFWKYHD-UHFFFAOYSA-N |
| MDL Number | MFCD26131168 |
| Molecular Formula | C14H14BrN3 |
| Molecular Weight | 304.1851 |
| SMILES | N#Cc1cc(Br)c2c(c1)ncn2C1CCCCC1 |
| Synonyms | 7-Bromo-1-cyclohexyl-1,3-benzodiazole-5-carbonitrile,
1820718-67-9,
7-Bromo-1-cyclohexyl-1H-benzo[d]imidazole-5-carbonitrile,
ZINC95496095,
AKOS027352726,
Y2881,
C14H14BrN3,
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| Complexity | 344 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 303.037g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 304.191g/mol |
| Monoisotopic Mass | 303.037g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 41.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.6 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number