| CAS Number | 1242260-28-1 |
| Catalog Number | AG009W1Q |
| Chemical Name | 4-Bromo-8-methylquinoline-3-carbonitrile |
| IUPAC Name | 4-bromo-8-methylquinoline-3-carbonitrile |
| InChI | InChI=1S/C11H7BrN2/c1-7-3-2-4-9-10(12)8(5-13)6-14-11(7)9/h2-4,6H,1H3 |
| InChI Key | XKKKDMAIMDKQCF-UHFFFAOYSA-N |
| MDL Number | MFCD15527476 |
| Molecular Formula | C11H7BrN2 |
| Molecular Weight | 247.0907 |
| SMILES | N#Cc1cnc2c(c1Br)cccc2C |
| Synonyms | 4-Bromo-8-methylquinoline-3-carbonitrile,
1242260-28-1,
DTXSID80677850,
MFCD15527476,
ZINC47913000,
AKOS027385362,
FCH1391144,
OR309346,
T6330,
|
| Complexity | 257 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 245.979g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 247.095g/mol |
| Monoisotopic Mass | 245.979g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 36.7A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number