Name: Name:tert-butyl 8-fluoro-6-(trifluoromethanesulfonyloxy)-1,2,3,4-tetrahydroisoquinoline-2-carboxylate
Brand: Angene
SKU: AG01ELER
Rating: 90 (10 reviews)

tert-butyl 8-fluoro-6-(trifluoromethanesulfonyloxy)-1,2,3,4-tetrahydroisoquinoline-2-carboxylate

CAS No.:

1868105-64-9

Catalog Number:

AG01ELER

Molecular Formula:

C15H17F4NO5S

Molecular Weight:

399.3578

Catalog Number:

AG01ELER

Chemical Name:

tert-butyl 8-fluoro-6-(trifluoromethanesulfonyloxy)-1,2,3,4-tetrahydroisoquinoline-2-carboxylate

CAS Number:

1868105-64-9

Molecular Formula:

C15H17F4NO5S

Molecular Weight:

399.3578

MDL Number:

MFCD31665278

IUPAC Name:

tert-butyl 8-fluoro-6-(trifluoromethylsulfonyloxy)-3,4-dihydro-1H-isoquinoline-2-carboxylate

InChI:

InChI=1S/C15H17F4NO5S/c1-14(2,3)24-13(21)20-5-4-9-6-10(7-12(16)11(9)8-20)25-26(22,23)15(17,18)19/h6-7H,4-5,8H2,1-3H3

InChI Key:

MOOHGLGAKCDROI-UHFFFAOYSA-N

SMILES:

O=C(N1CCc2c(C1)c(F)cc(c2)OS(=O)(=O)C(F)(F)F)OC(C)(C)C

Complexity:

625

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

399.076g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

399.357g/mol

Monoisotopic Mass:

399.076g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

81.3A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

3.5