| CAS Number | 917750-50-6 |
| Catalog Number | AG00IGVD(AGN-PC-0WC8DM) |
| Chemical Name | 2-Chloro-6,8-dimethylquinoline-3-carbonitrile |
| IUPAC Name | 2-chloro-6,8-dimethylquinoline-3-carbonitrile |
| InChI | InChI=1S/C12H9ClN2/c1-7-3-8(2)11-9(4-7)5-10(6-14)12(13)15-11/h3-5H,1-2H3 |
| InChI Key | HIBWIMLJOVOQMM-UHFFFAOYSA-N |
| MDL Number | MFCD08898633 |
| Molecular Formula | C12H9ClN2 |
| Molecular Weight | 216.6663 |
| SMILES | ClC1C(C#N)=CC2=CC(C)=CC(C)=C2N=1 |
| Synonyms | 2-Chloro-6,8-dimethylquinoline-3-carbonitrile,
917750-50-6,
2-Chloro-6,8-dimethyl-quinoline-3-carbonitrile,
CTK8E3948,
PKCBB_01132,
DTXSID50588989,
3173AF,
MFCD08898633,
ZINC11985171,
AKOS000676334,
AB49061,
MCULE-5901201300,
OR309452,
RT-007629,
2-Chloro-6,8-dimethylquinoline-3-carbonitrile, AldrichCPR,
C12H9ClN2,
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| Complexity | 283 |
| 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 | 0 |
| Topological Polar Surface Area | 36.7A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.6 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number