| CAS Number | 71082-35-4 |
| Catalog Number | AG00FUNH(AGN-PC-00PJY9) |
| Chemical Name | Ethyl 8-Fluoroquinoline-3-Carboxylate |
| IUPAC Name | ethyl 8-fluoroquinoline-3-carboxylate |
| InChI | InChI=1S/C12H10FNO2/c1-2-16-12(15)9-6-8-4-3-5-10(13)11(8)14-7-9/h3-7H,2H2,1H3 |
| InChI Key | WHWANFMWJBLPCS-UHFFFAOYSA-N |
| MDL Number | MFCD22581482 |
| Molecular Formula | C12H10FNO2 |
| Molecular Weight | 219.2117 |
| SMILES | FC=1C=CC=C2C=C(C=NC12)C(=O)OCC |
| Synonyms | ETHYL 8-FLUOROQUINOLINE-3-CARBOXYLATE,
71082-35-4,
8-fluoroquinoline-3-carboxylic acid ethyl ester,
C12H10FNO2,
SCHEMBL4155141,
DTXSID90573652,
MFCD22581482,
ZINC91692641,
AKOS027254884,
3-Quinolinecarboxylic acid, 8-fluoro-, ethyl ester,
|
| Complexity | 259 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 219.07g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 219.215g/mol |
| Monoisotopic Mass | 219.07g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 39.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.5 |
GHS Hazard and Precautionary Statements
| Symbol: | |
|
Hazard statements
|
|
|
Precautionary statements
|
|
Certificate of Analysis
Lot Number