Name: Name:tert-butyl N-[1-methyl-4-(trifluoromethanesulfonyloxy)cyclohex-3-en-1-yl]carbamate
Brand: Angene
SKU: AG01EM5J
Rating: 90 (10 reviews)

tert-butyl N-[1-methyl-4-(trifluoromethanesulfonyloxy)cyclohex-3-en-1-yl]carbamate

CAS No.:

2138510-40-2

Catalog Number:

AG01EM5J

Molecular Formula:

C13H20F3NO5S

Molecular Weight:

359.3618

Catalog Number:

AG01EM5J

Chemical Name:

tert-butyl N-[1-methyl-4-(trifluoromethanesulfonyloxy)cyclohex-3-en-1-yl]carbamate

CAS Number:

2138510-40-2

Molecular Formula:

C13H20F3NO5S

Molecular Weight:

359.3618

MDL Number:

MFCD31559319

IUPAC Name:

[4-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexen-1-yl] trifluoromethanesulfonate

InChI:

InChI=1S/C13H20F3NO5S/c1-11(2,3)21-10(18)17-12(4)7-5-9(6-8-12)22-23(19,20)13(14,15)16/h5H,6-8H2,1-4H3,(H,17,18)

InChI Key:

QZNLGPHGFVVJRW-UHFFFAOYSA-N

SMILES:

O=C(OC(C)(C)C)NC1(C)CCC(=CC1)OS(=O)(=O)C(F)(F)F

Complexity:

586

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

359.101g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

359.36g/mol

Monoisotopic Mass:

359.101g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

90.1A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

3.2