| CAS Number | 1199782-74-5 |
| Catalog Number | AG000PXU(AGN-PC-0ALTF6) |
| Chemical Name | 7-FLUORO-5-METHOXY-1-INDANONE |
| IUPAC Name | 7-fluoro-5-methoxy-2,3-dihydroinden-1-one |
| InChI | InChI=1S/C10H9FO2/c1-13-7-4-6-2-3-9(12)10(6)8(11)5-7/h4-5H,2-3H2,1H3 |
| InChI Key | FDNWTRIRARZLBG-UHFFFAOYSA-N |
| MDL Number | MFCD09908162 |
| Molecular Formula | C10H9FO2 |
| Molecular Weight | 180.1757 |
| SMILES | FC=1C=C(C=C2CCC(C12)=O)OC |
| Synonyms | 7-fluoro-5-methoxy-2,3-dihydro-1H-inden-1-one,
1199782-74-5,
7-fluoro-5-methoxy-1-indanone,
MFCD09908162,
AKOS006313043,
ZINC104468365,
CS-0047421,
1H-Inden-1-one, 7-fluoro-2,3-dihydro-5-methoxy-,
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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
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