| CAS Number | 953719-85-2 |
| Catalog Number | AG01A1RO(AGN-PC-0WO0DY) |
| Chemical Name | 7,8-Dichloro-1,2,3,4-tetrahydroquinoline |
| IUPAC Name | 7,8-dichloro-1,2,3,4-tetrahydroquinoline |
| InChI | InChI=1S/C9H9Cl2N/c10-7-4-3-6-2-1-5-12-9(6)8(7)11/h3-4,12H,1-2,5H2 |
| InChI Key | OOUVGZQCYMYMSR-UHFFFAOYSA-N |
| MDL Number | MFCD09727884 |
| Molecular Formula | C9H9Cl2N |
| Molecular Weight | 202.0805 |
| SMILES | ClC1=C(Cl)C2=C(CCCN2)C=C1 |
| Synonyms | 7,8-dichloro-1,2,3,4-tetrahydroquinoline,
953719-85-2,
Quinoline, 7,8-dichloro-1,2,3,4-tetrahydro-,
SCHEMBL3717293,
ZINC22162299,
AKOS000137025,
MCULE-9324417138,
NE48184,
Z1483956632,
|
| Complexity | 163 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 201.011g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 202.078g/mol |
| Monoisotopic Mass | 201.011g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 12A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.6 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number