| CAS Number | 1338651-82-3 |
| Catalog Number | AG00HT2A(AGN-PC-0WAYDH) |
| Chemical Name | 6,8-Difluoro-4-methoxyquinoline-2-carboxylic acid |
| IUPAC Name | 6,8-difluoro-4-methoxyquinoline-2-carboxylic acid |
| InChI | InChI=1S/C11H7F2NO3/c1-17-9-4-8(11(15)16)14-10-6(9)2-5(12)3-7(10)13/h2-4H,1H3,(H,15,16) |
| InChI Key | LEMSICSKYHTPOY-UHFFFAOYSA-N |
| MDL Number | MFCD21086556 |
| Molecular Formula | C11H7F2NO3 |
| Molecular Weight | 239.1750 |
| SMILES | O=C(C1=NC2=C(F)C=C(F)C=C2C(OC)=C1)O |
| Synonyms | 6,8-difluoro-4-methoxyquinoline-2-carboxylic acid,
1338651-82-3,
KS-00001PXE,
BBL024778,
HTS000789,
MFCD21086556,
STL284662,
ZINC70451513,
AKOS015830828,
BS-3042,
MCULE-5145756405,
H6206,
6,8-difluoro-4-methoxy-2-quinolinecarboxylic acid,
C11H7F2NO3,
|
| Complexity | 302 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 239.039g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 239.178g/mol |
| Monoisotopic Mass | 239.039g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 59.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.2 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number