| CAS Number | 436091-93-9 |
| Catalog Number | AG00E4S2(AGN-PC-0WB2Q8) |
| Chemical Name | 5-Iodo-6-methoxy-1,2,3,4-tetrahydronaphthalen-1-one |
| IUPAC Name | 5-iodo-6-methoxy-3,4-dihydro-2H-naphthalen-1-one |
| InChI | InChI=1S/C11H11IO2/c1-14-10-6-5-7-8(11(10)12)3-2-4-9(7)13/h5-6H,2-4H2,1H3 |
| InChI Key | ADSKUECQOUAYQU-UHFFFAOYSA-N |
| MDL Number | MFCD18648151 |
| Molecular Formula | C11H11IO2 |
| Molecular Weight | 302.1083 |
| SMILES | IC1(=C(OC)C=CC2(=C1CCCC2=O)) |
| Synonyms | 5-iodo-6-methoxy-1,2,3,4-tetrahydronaphthalen-1-one,
436091-93-9,
5-Iodo-6-methoxy-3,4-dihydronaphthalen-1(2H)-one,
C11H11IO2,
KS-00002BAH,
ZX-RL002238,
3475AE,
MFCD18648151,
ZINC95093620,
AKOS016339853,
FCH1336052,
SS-4632,
OR303313,
5-Iodo-6-methoxy-1,2,3,4-tetrahydronaphthalene-1-one,
|
| Complexity | 229 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 301.98g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 302.111g/mol |
| Monoisotopic Mass | 301.98g/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 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number