| CAS Number | 282101-16-0 |
| Catalog Number | AG00I5AR(AGN-PC-0WAMTC) |
| Chemical Name | Ethyl 4-chloroquinoline-7-carboxylate |
| IUPAC Name | ethyl 4-chloroquinoline-7-carboxylate |
| InChI | InChI=1S/C12H10ClNO2/c1-2-16-12(15)8-3-4-9-10(13)5-6-14-11(9)7-8/h3-7H,2H2,1H3 |
| InChI Key | JWANQGUWFXQBGZ-UHFFFAOYSA-N |
| MDL Number | MFCD21608036 |
| Molecular Formula | C12H10ClNO2 |
| Molecular Weight | 235.6663 |
| SMILES | O=C(C1=CC=C2C(Cl)=CC=NC2=C1)OCC |
| Synonyms | Ethyl 4-chloroquinoline-7-carboxylate,
282101-16-0,
AK-76340,
SCHEMBL6488275,
CTK8B7351,
KS-00000PDO,
DTXSID00708110,
JWANQGUWFXQBGZ-UHFFFAOYSA-N,
ANW-57099,
MFCD21608036,
ZINC82046546,
AKOS016002640,
AJ-124241,
AX8220914,
TC-145844,
CS-0040757,
ST24024944,
Ethyl4-chloroquinoline-7-carboxylate,
|
| Complexity | 259 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 235.04g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 235.667g/mol |
| Monoisotopic Mass | 235.04g/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 Class
|
|
|
Hazard statements
|
H302-H315-H319-H335
|
|
Packing Group
|
|
|
Precautionary statements
|
P261-P280-P301+P312-P302+P352-P305+P351+P338
|
|
UN Code
|
|
Certificate of Analysis
Lot Number