| CAS Number | 34849-21-3 |
| Catalog Number | AG01DWD1(AGN-PC-00389Z) |
| Chemical Name | 6-Chloro-1,2,3,4-tetrahydroquinoline-8-carboxylic acid |
| IUPAC Name | 6-chloro-1,2,3,4-tetrahydroquinoline-8-carboxylic acid |
| InChI | InChI=1S/C10H10ClNO2/c11-7-4-6-2-1-3-12-9(6)8(5-7)10(13)14/h4-5,12H,1-3H2,(H,13,14) |
| InChI Key | NVNHKJALCFASQL-UHFFFAOYSA-N |
| MDL Number | MFCD00881979 |
| Molecular Formula | C10H10ClNO2 |
| Molecular Weight | 211.6449 |
| SMILES | O=C(C1=CC(Cl)=CC2=C1NCCC2)O |
| Synonyms | 34849-21-3,
6-Chloro-1,2,3,4-tetrahydroquinoline-8-carboxylic acid,
SCHEMBL3950860,
8-Quinolinecarboxylic acid, 6-chloro-1,2,3,4-tetrahydro-,
AKOS022176426,
AJ-26325,
|
| Complexity | 234 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 211.04g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 211.645g/mol |
| Monoisotopic Mass | 211.04g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 49.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.5 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number