| CAS Number | 749906-83-0 |
| Catalog Number | AG019J9N |
| Chemical Name | 2-chloro-4-methyl-8-(propan-2-yl)quinoline |
| IUPAC Name | 2-chloro-4-methyl-8-propan-2-ylquinoline |
| InChI | InChI=1S/C13H14ClN/c1-8(2)10-5-4-6-11-9(3)7-12(14)15-13(10)11/h4-8H,1-3H3 |
| InChI Key | IQCLKXIOPHJAIT-UHFFFAOYSA-N |
| MDL Number | MFCD06336088 |
| Molecular Formula | C13H14ClN |
| Molecular Weight | 219.7100 |
| SMILES | CC(C1=C2C(C(=CC(=N2)Cl)C)=CC=C1)C |
| Synonyms | 2-chloro-4-methyl-8-(propan-2-yl)quinoline,
2-chloro-8-isopropyl-4-methylquinoline,
749906-83-0,
AC1M2J2P,
AC1Q1OG7,
MLS001011046,
CHEMBL1326617,
CTK6G6374,
HMS2614F18,
ZINC2654586,
AKOS002682999,
MCULE-1843061514,
NE48086,
SMR000353049,
2-chloro-4-methyl-8-propan-2-ylquinoline,
EN300-08893,
ZINC02654586,
CID2118094,
|
| Complexity | 217 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 219.081g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 219.712g/mol |
| Monoisotopic Mass | 219.081g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 12.9A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 4.6 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number