Name: Name:tert-butyl N-[8-(trifluoromethanesulfonyloxy)-3,4-dihydro-2H-1-benzopyran-3-yl]carbamate
Brand: Angene
SKU: AG01C2C5
Rating: 90 (10 reviews)

tert-butyl N-[8-(trifluoromethanesulfonyloxy)-3,4-dihydro-2H-1-benzopyran-3-yl]carbamate

CAS No.:

1909337-31-0

Catalog Number:

AG01C2C5

Molecular Formula:

C15H18F3NO6S

Molecular Weight:

397.3667

Catalog Number:

AG01C2C5

Chemical Name:

tert-butyl N-[8-(trifluoromethanesulfonyloxy)-3,4-dihydro-2H-1-benzopyran-3-yl]carbamate

CAS Number:

1909337-31-0

Molecular Formula:

C15H18F3NO6S

Molecular Weight:

397.3667

MDL Number:

MFCD29762701

IUPAC Name:

[3-[(2-methylpropan-2-yl)oxycarbonylamino]-3,4-dihydro-2H-chromen-8-yl] trifluoromethanesulfonate

InChI:

InChI=1S/C15H18F3NO6S/c1-14(2,3)24-13(20)19-10-7-9-5-4-6-11(12(9)23-8-10)25-26(21,22)15(16,17)18/h4-6,10H,7-8H2,1-3H3,(H,19,20)

InChI Key:

WDUJUJIXZGDUEA-UHFFFAOYSA-N

SMILES:

O=C(OC(C)(C)C)NC1COc2c(C1)cccc2OS(=O)(=O)C(F)(F)F

Complexity:

610

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

397.081g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

397.365g/mol

Monoisotopic Mass:

397.081g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

99.3A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

3.4