| CAS Number | 1242260-89-4 |
| Catalog Number | AG009W0M |
| Chemical Name | Ethyl 4-amino-8-bromoquinoline-3-carboxylate |
| IUPAC Name | ethyl 4-amino-8-bromoquinoline-3-carboxylate |
| InChI | InChI=1S/C12H11BrN2O2/c1-2-17-12(16)8-6-15-11-7(10(8)14)4-3-5-9(11)13/h3-6H,2H2,1H3,(H2,14,15) |
| InChI Key | UVCACASLBBNWKP-UHFFFAOYSA-N |
| MDL Number | MFCD16987435 |
| Molecular Formula | C12H11BrN2O2 |
| Molecular Weight | 295.1319 |
| SMILES | CCOC(=O)C1=CN=C2C(=C1N)C=CC=C2Br |
| Synonyms | 4-Amino-8-bromoquinoline-3-carboxylic acid ethyl ester,
1242260-89-4,
ethyl 4-amino-8-bromoquinoline-3-carboxylate,
SCHEMBL437697,
DTXSID20677859,
MFCD16987435,
ZINC47913015,
AKOS006056463,
ABA-9431380,
OR309354,
T6334,
|
| Complexity | 288 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 294g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 295.136g/mol |
| Monoisotopic Mass | 294g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 65.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number