| CAS Number | 88288-05-5 |
| Catalog Number | AG01C45G(AGN-PC-00L8YK) |
| Chemical Name | 5-Fluoro-6-methoxy-1,2,3,4-tetrahydronaphthalen-1-one |
| IUPAC Name | 5-fluoro-6-methoxy-3,4-dihydro-2H-naphthalen-1-one |
| InChI | InChI=1S/C11H11FO2/c1-14-10-6-5-7-8(11(10)12)3-2-4-9(7)13/h5-6H,2-4H2,1H3 |
| InChI Key | DDYXPBSKGLCFOB-UHFFFAOYSA-N |
| MDL Number | MFCD18648150 |
| Molecular Formula | C11H11FO2 |
| Molecular Weight | 194.2022 |
| SMILES | FC1=C2CCCC(C2=CC=C1OC)=O |
| Synonyms | 5-fluoro-6-methoxy-1,2,3,4-tetrahydronaphthalen-1-one,
88288-05-5,
5-fluoro-6-methoxy-1-tetralone,
SCHEMBL14053635,
DDYXPBSKGLCFOB-UHFFFAOYSA-N,
AKOS006373592,
5-fluoro-6-methoxy-3,4-dihydronapthalen-1(2H)-one,
|
| Complexity | 229 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 194.074g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 194.205g/mol |
| Monoisotopic Mass | 194.074g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 26.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.1 |
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Certificate of Analysis
Lot Number