| CAS Number | 1189106-89-5 |
| Catalog Number | AG007PHA(AGN-PC-0WR1R5) |
| Chemical Name | 6-Bromo-2,8-dimethylquinoline-3-carboxylic acid ethyl ester |
| IUPAC Name | ethyl 6-bromo-2,8-dimethylquinoline-3-carboxylate |
| InChI | InChI=1S/C14H14BrNO2/c1-4-18-14(17)12-7-10-6-11(15)5-8(2)13(10)16-9(12)3/h5-7H,4H2,1-3H3 |
| InChI Key | VJYQABAYMMJICK-UHFFFAOYSA-N |
| MDL Number | MFCD12675068 |
| Molecular Formula | C14H14BrNO2 |
| Molecular Weight | 308.1705 |
| SMILES | BrC=1C=C2C=C(C(=NC2=C(C1)C)C)C(=O)OCC |
| Synonyms | 6-Bromo-2,8-dimethylquinoline-3-carboxylic acid ethyl ester,
1189106-89-5,
CTK8E5345,
DTXSID90670993,
MFCD12675068,
ZINC36075665,
AKOS027295195,
OR309318,
RT-017122,
T6254,
Ethyl 6-bromo-2,8-dimethylquinoline-3-carboxylate,
6-Bromo-2,8-dimethylquinoline-3-carboxylic acid ethyl ester, AldrichCPR,
|
| Complexity | 310 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 307.021g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 308.175g/mol |
| Monoisotopic Mass | 307.021g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 39.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.9 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number