| CAS Number | 952569-57-2 |
| Catalog Number | AG01DWWR |
| Chemical Name | 2-Chloro-7,7-dimethyl-5,6,7,8-tetrahydroquinoline-3-carbonitrile |
| IUPAC Name | 2-chloro-7,7-dimethyl-6,8-dihydro-5H-quinoline-3-carbonitrile |
| InChI | InChI=1S/C12H13ClN2/c1-12(2)4-3-8-5-9(7-14)11(13)15-10(8)6-12/h5H,3-4,6H2,1-2H3 |
| InChI Key | RKICFLPSLQJSMF-UHFFFAOYSA-N |
| MDL Number | MFCD03426879 |
| Molecular Formula | C12H13ClN2 |
| Molecular Weight | 220.6980 |
| SMILES | CC1(CC2=C(C=C(C(=N2)Cl)C#N)CC1)C |
| Synonyms | 2-chloro-7,7-dimethyl-5,6,7,8-tetrahydroquinoline-3-carbonitrile,
952569-57-2,
AC1MRI8O,
CTK7C7429,
2-chloro-7,7-dimethyl-6,8-dihydro-5H-quinoline-3-carbonitrile,
SBB096064,
CID3468626,
|
| Complexity | 291 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 220.077g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 220.7g/mol |
| Monoisotopic Mass | 220.077g/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
Certificate of Analysis
Lot Number