| CAS Number | 880105-72-6 |
| Catalog Number | AG003H17(AGN-PC-01A9KL) |
| Chemical Name | 2-Chloro-8-ethylquinoline-3-carbonitrile |
| IUPAC Name | 2-chloro-8-ethylquinoline-3-carbonitrile |
| InChI | InChI=1S/C12H9ClN2/c1-2-8-4-3-5-9-6-10(7-14)12(13)15-11(8)9/h3-6H,2H2,1H3 |
| InChI Key | XLZCPZRZKGVZIP-UHFFFAOYSA-N |
| MDL Number | MFCD09035781 |
| Molecular Formula | C12H9ClN2 |
| Molecular Weight | 216.6663 |
| SMILES | CCc1cccc2c1nc(Cl)c(c2)C#N |
| Synonyms | 2-Chloro-8-ethylquinoline-3-carbonitrile,
880105-72-6,
2-Chloro-3-cyano-8-ethylquinoline,
CTK8E3985,
PKCBB_01104,
DTXSID80589005,
MFCD09035781,
ZINC11985211,
AKOS004121578,
AB49445,
AJ-60703,
OR307926,
AX8287360,
RT-007670,
T6703,
2-Chloro-8-ethylquinoline-3-carbonitrile, AldrichCPR,
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| Complexity | 270 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 216.045g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 216.668g/mol |
| Monoisotopic Mass | 216.045g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 36.7A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.7 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number