| CAS Number | 1086398-59-5 |
| Catalog Number | AG00HB7S(AGN-PC-0WCYO0) |
| Chemical Name | Ethyl 6-fluoro-1-hydroxy-2-methyl-indole-3-carboxylate |
| IUPAC Name | ethyl 6-fluoro-1-hydroxy-2-methylindole-3-carboxylate |
| InChI | InChI=1S/C12H12FNO3/c1-3-17-12(15)11-7(2)14(16)10-6-8(13)4-5-9(10)11/h4-6,16H,3H2,1-2H3 |
| InChI Key | RXBPRBZNIBWUPY-UHFFFAOYSA-N |
| MDL Number | MFCD11501321 |
| Molecular Formula | C12H12FNO3 |
| Molecular Weight | 237.2270 |
| SMILES | CCOC(=O)C1=C(C)N(O)C2=C1C=CC(F)=C2 |
| Synonyms | 1086398-59-5,
ETHYL 6-FLUORO-1-HYDROXY-2-METHYL-INDOLE-3-CARBOXYLATE,
Ethyl 6-fluoro-1-hydroxy-2-methyl-1H-indole-3-carboxylate,
MFCD11501321,
ZINC44138138,
AS-37697,
AX8266817,
X-3839,
6-Fluoro-1-hydroxy-2-methyl-1H-indole-3-carboxylic acid ethyl ester,
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| Complexity | 300 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 237.08g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 237.23g/mol |
| Monoisotopic Mass | 237.08g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 51.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.8 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number