| CAS Number | 1249870-64-1 |
| Catalog Number | AG01AJ15 |
| Chemical Name | 6-fluoro-4-methyl-1H-indole-2-carboxylic acid |
| IUPAC Name | 6-fluoro-4-methyl-1H-indole-2-carboxylic acid |
| InChI | InChI=1S/C10H8FNO2/c1-5-2-6(11)3-8-7(5)4-9(12-8)10(13)14/h2-4,12H,1H3,(H,13,14) |
| InChI Key | IUUOGPKUINKWJC-UHFFFAOYSA-N |
| MDL Number | MFCD16686548 |
| Molecular Formula | C10H8FNO2 |
| Molecular Weight | 193.1744 |
| SMILES | CC1=C2C(NC(C(O)=O)=C2)=CC(F)=C1 |
| Synonyms | 6-fluoro-4-methyl-1H-indole-2-carboxylic acid,
1249870-64-1,
SCHEMBL20505503,
ZINC50568849,
AKOS011404818,
MCULE-1346205342,
NE28975,
6-Fluoro-4-methylindole-2-carboxylic Acid,
EN300-79531,
Z1259340016,
|
| Complexity | 246 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 193.054g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 193.177g/mol |
| Monoisotopic Mass | 193.054g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 53.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.4 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number