| CAS Number | 937672-26-9 |
| Catalog Number | AG006EBI(AGN-PC-0WQXG4) |
| Chemical Name | 2-Chloro-6-ethoxyquinoline-3-carbonitrile |
| IUPAC Name | 2-chloro-6-ethoxyquinoline-3-carbonitrile |
| InChI | InChI=1S/C12H9ClN2O/c1-2-16-10-3-4-11-8(6-10)5-9(7-14)12(13)15-11/h3-6H,2H2,1H3 |
| InChI Key | DLSJCLCHOALFAO-UHFFFAOYSA-N |
| MDL Number | MFCD09035791 |
| Molecular Formula | C12H9ClN2O |
| Molecular Weight | 232.6657 |
| SMILES | CCOc1ccc2c(c1)cc(c(n2)Cl)C#N |
| Synonyms | 2-Chloro-6-ethoxyquinoline-3-carbonitrile,
937672-26-9,
SCHEMBL2529501,
CTK8E3953,
PKCBB_01151,
DTXSID40588993,
MFCD09035791,
ZINC11985196,
AKOS000804007,
AB49447,
MCULE-1927387158,
OR307919,
RT-007636,
T6779,
2-Chloro-6-ethoxyquinoline-3-carbonitrile, AldrichCPR,
AKOSBB-7592,
|
| Complexity | 288 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 232.04g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 232.667g/mol |
| Monoisotopic Mass | 232.04g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 45.9A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.2 |
GHS Hazard and Precautionary Statements
| Symbol: |   |
|
Hazard Class
|
6.1
|
|
Hazard statements
|
H301-H318
|
|
Packing Group
|
Ⅲ
|
|
Precautionary statements
|
P280-P301+P310-P305+P351+P338
|
|
UN Code
|
UN 2811
|
Certificate of Analysis
Lot Number