| CAS Number | 295779-81-6 |
| Catalog Number | AG002YSC(AGN-PC-0AMABD) |
| Chemical Name | 1H-Inden-1-one, 4-fluoro-2,3-dihydro-5-methoxy- |
| IUPAC Name | 4-fluoro-5-methoxy-2,3-dihydroinden-1-one |
| InChI | InChI=1S/C10H9FO2/c1-13-9-5-3-6-7(10(9)11)2-4-8(6)12/h3,5H,2,4H2,1H3 |
| InChI Key | PHWKZJQHPREIDN-UHFFFAOYSA-N |
| MDL Number | MFCD18647832 |
| Molecular Formula | C10H9FO2 |
| Molecular Weight | 180.1757 |
| SMILES | FC1=C2CCC(C2=CC=C1OC)=O |
| Synonyms | 295779-81-6,
4-fluoro-2,3-dihydro-5-methoxyinden-1-one,
4-Fluoro-5-methoxy-2,3-dihydro-1H-inden-1-one,
1H-Inden-1-one, 4-fluoro-2,3-dihydro-5-methoxy-,
4-Fluoro-5-methoxyindan-1-one,
MFCD18647832,
AKOS006372573,
ZINC104682015,
ACN-030552,
4-FLUORO-5-METHOXY-1-INDANONE,
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| Complexity | 217 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 180.059g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 180.178g/mol |
| Monoisotopic Mass | 180.059g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 26.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.7 |
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Certificate of Analysis
Lot Number