| CAS Number | 948294-54-0 |
| Catalog Number | AG00IIKZ |
| Chemical Name | 3-(2-Chloroethyl)-2,7-dichloroquinoline |
| IUPAC Name | 2,7-dichloro-3-(2-chloroethyl)quinoline |
| InChI | InChI=1S/C11H8Cl3N/c12-4-3-8-5-7-1-2-9(13)6-10(7)15-11(8)14/h1-2,5-6H,3-4H2 |
| InChI Key | UCRSISKIOWPLSD-UHFFFAOYSA-N |
| MDL Number | MFCD09787623 |
| Molecular Formula | C11H8Cl3N |
| Molecular Weight | 260.5469 |
| SMILES | ClCCc1cc2ccc(cc2nc1Cl)Cl |
| Synonyms | 3-(2-Chloroethyl)-2,7-dichloroquinoline,
948294-54-0,
2,7-DICHLORO-3-(2-CHLOROETHYL)QUINOLINE,
DTXSID50588949,
MFCD09787623,
ZINC11985640,
AB51829,
OR307897,
DB-080113,
FT-0728803,
T6835,
3-(2-Chloroethyl)-2,7-dichloroquinoline, AldrichCPR,
3- -2,7-dichloroquinoline,
|
| Complexity | 212 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 258.972g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 260.542g/mol |
| Monoisotopic Mass | 258.972g/mol |
| Rotatable Bond Count | 2 |
| 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