| CAS Number | 1070879-46-7 |
| Catalog Number | AG0093EB |
| Chemical Name | 4-Bromo-6-ethoxy-2-methylquinoline |
| IUPAC Name | 4-bromo-6-ethoxy-2-methylquinoline |
| InChI | InChI=1S/C12H12BrNO/c1-3-15-9-4-5-12-10(7-9)11(13)6-8(2)14-12/h4-7H,3H2,1-2H3 |
| InChI Key | HWNKSJFISFTFTO-UHFFFAOYSA-N |
| MDL Number | MFCD11505131 |
| Molecular Formula | C12H12BrNO |
| Molecular Weight | 266.1338 |
| SMILES | CC1=NC2=CC=C(OCC)C=C2C(Br)=C1 |
| Synonyms | 4-Bromo-6-ethoxy-2-methylquinoline,
1070879-46-7,
CTK4A4975,
DTXSID40653695,
MFCD11505131,
ZINC32099863,
AKOS022889585,
OR309290,
RT-016943,
T6142,
4-Bromo-6-ethoxy-2-methylquinoline, AldrichCPR,
|
| Complexity | 212 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 265.01g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 266.138g/mol |
| Monoisotopic Mass | 265.01g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 22.1A^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
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