| CAS Number | 893730-39-7 |
| Catalog Number | AG01BTKF |
| Chemical Name | methyl 5-fluoro-3-formyl-1-methyl-1H-indole-2-carboxylate |
| IUPAC Name | methyl 5-fluoro-3-formyl-1-methylindole-2-carboxylate |
| InChI | InChI=1S/C12H10FNO3/c1-14-10-4-3-7(13)5-8(10)9(6-15)11(14)12(16)17-2/h3-6H,1-2H3 |
| InChI Key | HDBSPJYZGJRILH-UHFFFAOYSA-N |
| MDL Number | MFCD07364695 |
| Molecular Formula | C12H10FNO3 |
| Molecular Weight | 235.2111 |
| SMILES | COC(C1N(C)C2=C(C=C(C=C2)F)C=1C=O)=O |
| Synonyms | methyl 5-fluoro-3-formyl-1-methyl-1H-indole-2-carboxylate,
893730-39-7,
AC1NGP6N,
ZINC8417076,
AKOS004119584,
methyl 5-fluoro-3-formyl-1-methylindole-2-carboxylate,
CID4777854,
Methyl 5-fluoro-3-formyl-1-methyl-indole-2-carboxylate,
|
| Complexity | 323 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 235.064g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 235.214g/mol |
| Monoisotopic Mass | 235.064g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 48.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.7 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number