| CAS Number | 34910-81-1 |
| Catalog Number | AG01C5I3(AGN-PC-0NI3OI) |
| Chemical Name | 8-chloro-5-methoxy-1,2,3,4-tetrahydronaphthalen-1-one |
| IUPAC Name | 8-chloro-5-methoxy-3,4-dihydro-2H-naphthalen-1-one |
| InChI | InChI=1S/C11H11ClO2/c1-14-10-6-5-8(12)11-7(10)3-2-4-9(11)13/h5-6H,2-4H2,1H3 |
| InChI Key | LRRYWUSMKNJHTH-UHFFFAOYSA-N |
| MDL Number | MFCD20462358 |
| Molecular Formula | C11H11ClO2 |
| Molecular Weight | 210.6568 |
| SMILES | COC1=C2C(C(CCC2)=O)=C(Cl)C=C1 |
| Synonyms | 34910-81-1,
8-chloro-5-methoxy-1,2,3,4-tetrahydronaphthalen-1-one,
8-chloro-5-methoxy-3,4-dihydro-2H-naphthalen-1-one,
SCHEMBL7410003,
8-Chloro-5-methoxy-1-tetralone,
LRRYWUSMKNJHTH-UHFFFAOYSA-N,
AKOS034086556,
|
| Complexity | 229 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 210.045g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 210.657g/mol |
| Monoisotopic Mass | 210.045g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 26.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.6 |
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Certificate of Analysis
Lot Number