| CAS Number | 1260017-53-5 |
| Catalog Number | AG01FMS6(AGN-PC-3H5N24) |
| Chemical Name | 6,8-DICHLORO-3,4-DIHYDRONAPHTHALEN-1(2H)-ONE |
| IUPAC Name | 6,8-dichloro-3,4-dihydro-2H-naphthalen-1-one |
| InChI | InChI=1S/C10H8Cl2O/c11-7-4-6-2-1-3-9(13)10(6)8(12)5-7/h4-5H,1-3H2 |
| InChI Key | OLNPLNFAQDGFCK-UHFFFAOYSA-N |
| MDL Number | MFCD18208420 |
| Molecular Formula | C10H8Cl2O |
| Molecular Weight | 215.0759 |
| SMILES | ClC=1C=C2CCCC(C2=C(C1)Cl)=O |
| Synonyms | 1260017-53-5,
6,8-Dichloro-3,4-dihydronaphthalen-1(2H)-one,
AJ-137365,
6,8-dichloro-1,2,3,4-tetrahydronaphthalen-1-one,
F1909-1757,
|
| Complexity | 217 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 213.995g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 215.073g/mol |
| Monoisotopic Mass | 213.995g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 17.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.3 |
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Certificate of Analysis
Lot Number