| CAS Number | 1420800-19-6 |
| Catalog Number | AG009WWV(AGN-PC-0WAC5W) |
| Chemical Name | 7-Bromo-1-ethyl-2-methylbenzodiazole-5-carbonitrile |
| IUPAC Name | 7-bromo-1-ethyl-2-methylbenzimidazole-5-carbonitrile |
| InChI | InChI=1S/C11H10BrN3/c1-3-15-7(2)14-10-5-8(6-13)4-9(12)11(10)15/h4-5H,3H2,1-2H3 |
| InChI Key | DIYQLTZBWMFQBD-UHFFFAOYSA-N |
| MDL Number | MFCD22689136 |
| Molecular Formula | C11H10BrN3 |
| Molecular Weight | 264.1212 |
| SMILES | N#Cc1cc(Br)c2c(c1)nc(n2CC)C |
| Synonyms | 7-Bromo-1-ethyl-2-methylbenzodiazole-5-carbonitrile,
1420800-19-6,
ZINC95496077,
AKOS026673322,
V3143,
C11H10BrN3,
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| Complexity | 285 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 263.006g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 264.126g/mol |
| Monoisotopic Mass | 263.006g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 41.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.5 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
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