| CAS Number | 915923-73-8 |
| Catalog Number | AG006SVW(AGN-PC-0WB39M) |
| Chemical Name | 7-Fluoro-2-methylquinoline-4-carboxylic acid |
| IUPAC Name | 7-fluoro-2-methylquinoline-4-carboxylic acid |
| InChI | InChI=1S/C11H8FNO2/c1-6-4-9(11(14)15)8-3-2-7(12)5-10(8)13-6/h2-5H,1H3,(H,14,15) |
| InChI Key | KPNZFNKTKZNKKS-UHFFFAOYSA-N |
| MDL Number | MFCD08059751 |
| Molecular Formula | C11H8FNO2 |
| Molecular Weight | 205.1851 |
| SMILES | C12=CC(F)=CC=C1C(=CC(C)=N2)C(O)=O |
| Synonyms | 7-fluoro-2-methylquinoline-4-carboxylic acid,
915923-73-8,
AC1Q2P7L,
CTK5H0115,
DTXSID80585527,
MFCD08059751,
ZINC19088397,
AKOS000141940,
MCULE-7226748635,
AJ-70969,
DB-027916,
FT-0764789,
7-Fluoro-2-methyl-4-quinolinecarboxylic acid,
EN300-35621,
Y-3347,
Z228589446,
7-Fluoro-2-methylquinoline-4-carboxylic acid, AldrichCPR,
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| Complexity | 259 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 205.054g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 205.188g/mol |
| Monoisotopic Mass | 205.054g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 50.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.2 |
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Certificate of Analysis
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