| CAS Number | 1020244-24-9 |
| Catalog Number | AG01BH65 |
| Chemical Name | 2-bromo-5H,6H,7H,8H,9H,10H-cycloocta[b]pyridine-3,4-dicarbonitrile |
| IUPAC Name | 2-bromo-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine-3,4-dicarbonitrile |
| InChI | InChI=1S/C13H12BrN3/c14-13-11(8-16)10(7-15)9-5-3-1-2-4-6-12(9)17-13/h1-6H2 |
| InChI Key | XYTYYWPOJMNJOX-UHFFFAOYSA-N |
| MDL Number | MFCD12033780 |
| Molecular Formula | C13H12BrN3 |
| Molecular Weight | 290.1585 |
| SMILES | BrC1=C(C#N)C(C#N)=C2C(CCCCCC2)=N1 |
| Synonyms | 2-BROMO-5H,6H,7H,8H,9H,10H-CYCLOOCTA[B]PYRIDINE-3,4-DICARBONITRILE,
1020244-24-9,
STK693687,
ZINC15107855,
AKOS005605509,
MCULE-2552737839,
EN300-194234,
2-bromo-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine-3,4-dicarbonitrile,
|
| Complexity | 363 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 289.021g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 290.164g/mol |
| Monoisotopic Mass | 289.021g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 60.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.6 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number