| CAS Number | 99058-34-1 |
| Catalog Number | AG01DWXW(AGN-PC-00O6IH) |
| Chemical Name | 2-chloro-5,6,7,8-tetrahydroquinoline-3-carboxylic acid |
| IUPAC Name | 2-chloro-5,6,7,8-tetrahydroquinoline-3-carboxylic acid |
| InChI | InChI=1S/C10H10ClNO2/c11-9-7(10(13)14)5-6-3-1-2-4-8(6)12-9/h5H,1-4H2,(H,13,14) |
| InChI Key | JUAXTTJHJSYZQI-UHFFFAOYSA-N |
| MDL Number | MFCD19316885 |
| Molecular Formula | C10H10ClNO2 |
| Molecular Weight | 211.6449 |
| SMILES | OC(C1=C(Cl)N=C2C(CCCC2)=C1)=O |
| Synonyms | 99058-34-1,
2-chloro-5,6,7,8-tetrahydro-3-quinolinecarboxylic acid,
3-Quinolinecarboxylic acid, 2-chloro-5,6,7,8-tetrahydro-,
ACMC-20m2mj,
2-Chloro-5,6,7,8-tetrahydroquinoline-3-carboxylic acid,
DTXSID00550893,
|
| 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 | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 211.645g/mol |
| Monoisotopic Mass | 211.04g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 50.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.6 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number