| CAS Number | 318685-51-7 |
| Catalog Number | AG00CL9P |
| Chemical Name | Ethyl 4-chloro-7,8-difluoroquinoline-3-carboxylate |
| IUPAC Name | ethyl 4-chloro-7,8-difluoroquinoline-3-carboxylate |
| InChI | InChI=1S/C12H8ClF2NO2/c1-2-18-12(17)7-5-16-11-6(9(7)13)3-4-8(14)10(11)15/h3-5H,2H2,1H3 |
| InChI Key | VMKVYBOEHDTOKK-UHFFFAOYSA-N |
| MDL Number | MFCD16354694 |
| Molecular Formula | C12H8ClF2NO2 |
| Molecular Weight | 271.6472 |
| SMILES | CCOC(C1=C(Cl)C2=C(C(=C(C=C2)F)F)N=C1)=O |
| Synonyms | 318685-51-7,
4-Chloro-7,8-difluoroquinoline-3-carboxylic acid ethyl ester,
ethyl 4-chloro-7,8-difluoroquinoline-3-carboxylate,
SCHEMBL538007,
DTXSID90594423,
VMKVYBOEHDTOKK-UHFFFAOYSA-N,
MFCD16354694,
ZINC40230848,
AKOS010309063,
DB-068538,
CS-0060022,
FT-0735188,
Ethyl4-chloro-7,8-difluoroquinoline-3-carboxylate,
|
| Complexity | 319 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 271.021g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 271.648g/mol |
| Monoisotopic Mass | 271.021g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 39.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.2 |
GHS Hazard and Precautionary Statements
| Symbol: | |
|
Hazard statements
|
|
|
Precautionary statements
|
|
Certificate of Analysis
Lot Number