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161970-95-2 | Methanesulfonic acid, trifluoro-, 5,6,7,8-tetrahydro-7-(propylamino)-1-naphthalenyl ester, (R)- (9CI)
CAS No: 161970-95-2 Catalog No: AG001SKR MDL No:
Product Description
Catalog Number:
AG001SKR
Chemical Name:
Methanesulfonic acid, trifluoro-, 5,6,7,8-tetrahydro-7-(propylamino)-1-naphthalenyl ester, (R)- (9CI)
CAS Number:
161970-95-2
Molecular Formula:
C14H18F3NO3S
Molecular Weight:
337.3578
IUPAC Name:
[(7R)-7-(propylamino)-5,6,7,8-tetrahydronaphthalen-1-yl] trifluoromethanesulfonate
InChI:
InChI=1S/C14H18F3NO3S/c1-2-8-18-11-7-6-10-4-3-5-13(12(10)9-11)21-22(19,20)14(15,16)17/h3-5,11,18H,2,6-9H2,1H3/t11-/m1/s1
InChI Key:
ZRWGXXAMGVLDQT-LLVKDONJSA-N
SMILES:
CCCNC1CCc2c(C1)c(ccc2)OS(=O)(=O)C(F)(F)F
Properties
Complexity:
461
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
337.096g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
337.357g/mol
Monoisotopic Mass:
337.096g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
63.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.9
Literature
| Title | Journal |
|---|---|
| Stereoselective synthesis of tetrasubstituted (Z)-alkenes from aryl alkyl ketones utilizing the Horner-Wadsworth-Emmons reaction. | Chemical & pharmaceutical bulletin 20020901 |
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