| CAS Number | 5159-07-9 |
| Catalog Number | AG00I985(AGN-PC-0WNGC7) |
| Chemical Name | Methyl 6-Fluoroindole-3-acetate |
| IUPAC Name | methyl 2-(6-fluoro-1H-indol-3-yl)acetate |
| InChI | InChI=1S/C11H10FNO2/c1-15-11(14)4-7-6-13-10-5-8(12)2-3-9(7)10/h2-3,5-6,13H,4H2,1H3 |
| InChI Key | AVSUEWDZNVTLFF-UHFFFAOYSA-N |
| MDL Number | MFCD24392343 |
| Molecular Formula | C11H10FNO2 |
| Molecular Weight | 207.2010 |
| SMILES | COC(=O)CC1=CNC2=C1C=CC(F)=C2 |
| Synonyms | Methyl 6-Fluoroindole-3-acetate,
5159-07-9,
Methyl6-Fluoroindole-3-acetate,
MFCD24392343,
ZINC97756879,
AKOS024171069,
AC-29818,
CS-12440,
SY058573,
MFCD24392343 (95%),
METHYL 2-(6-FLUORO-1H-INDOL-3-YL)ACETATE,
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| Complexity | 247 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 207.07g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 207.204g/mol |
| Monoisotopic Mass | 207.07g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 42.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.8 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number