| CAS Number | 1017157-81-1 |
| Catalog Number | AG00VSIM(AGN-PC-0WBKCT) |
| Chemical Name | 2-Chloro-7-fluoroquinoline-3-carboxylic acid |
| IUPAC Name | 2-chloro-7-fluoroquinoline-3-carboxylic acid |
| InChI | InChI=1S/C10H5ClFNO2/c11-9-7(10(14)15)3-5-1-2-6(12)4-8(5)13-9/h1-4H,(H,14,15) |
| InChI Key | MHGHQQPGIMHFEW-UHFFFAOYSA-N |
| MDL Number | MFCD09895919 |
| Molecular Formula | C10H5ClFNO2 |
| Molecular Weight | 225.6036 |
| SMILES | OC(C1=C(Cl)N=C2C(C=CC(=C2)F)=C1)=O |
| Synonyms | 2-chloro-7-fluoroquinoline-3-carboxylic acid,
1017157-81-1,
ZINC11985716,
AKOS015946084,
MCULE-2643492364,
NS-02819,
|
| Complexity | 264 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 224.999g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 225.603g/mol |
| Monoisotopic Mass | 224.999g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 50.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.8 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number