| CAS Number | 1070879-44-5 |
| Catalog Number | AG007B6B(AGN-PC-05T2XE) |
| Chemical Name | 4-Bromo-6-ethyl-2-methylquinoline |
| IUPAC Name | 4-bromo-6-ethyl-2-methylquinoline |
| InChI | InChI=1S/C12H12BrN/c1-3-9-4-5-12-10(7-9)11(13)6-8(2)14-12/h4-7H,3H2,1-2H3 |
| InChI Key | ALBMSDIUFYWOPN-UHFFFAOYSA-N |
| MDL Number | MFCD11505128 |
| Molecular Formula | C12H12BrN |
| Molecular Weight | 250.1344 |
| SMILES | CC1=NC2=CC=C(CC)C=C2C(Br)=C1 |
| Synonyms | 4-Bromo-6-ethyl-2-methylquinoline,
1070879-44-5,
CTK4A4973,
DTXSID20653693,
MFCD11505128,
ZINC32099860,
AKOS022889573,
FCH1404175,
OR309288,
RT-016945,
T6141,
4-Bromo-6-ethyl-2-methylquinoline, AldrichCPR,
|
| Complexity | 195 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 249.015g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 250.139g/mol |
| Monoisotopic Mass | 249.015g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 12.9A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 4.1 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number