| CAS Number | 498548-90-6 |
| Catalog Number | AG00DK2E |
| Chemical Name | AKOS BB-7584 |
| IUPAC Name | 2-chloro-6-ethylquinoline-3-carbonitrile |
| InChI | InChI=1S/C12H9ClN2/c1-2-8-3-4-11-9(5-8)6-10(7-14)12(13)15-11/h3-6H,2H2,1H3 |
| InChI Key | ZZBSVGBZSYQFSD-UHFFFAOYSA-N |
| MDL Number | MFCD03047545 |
| Molecular Formula | C12H9ClN2 |
| Molecular Weight | 216.6663 |
| SMILES | ClC1=NC2=CC=C(C=C2C=C1C#N)CC |
| Synonyms | 2-chloro-6-ethylquinoline-3-carbonitrile,
498548-90-6,
AC1LHBQX,
AKOS BB-7584,
CTK8E3957,
PKCBB_01184,
DTXSID20357684,
ZINC416218,
MFCD03047545,
AKOS004121633,
AB13045,
ACM498548906,
OR307921,
RT-007640,
T6548,
2-Chloro-6-ethylquinoline-3-carbonitrile, AldrichCPR,
CID860227,
2-chloro-6-ethyl-quinoline-3-carbonitrile,
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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