Name: Name:(1R,5S)-tert-butyl 3-(trifluoromethylsulfonyloxy)-8-azabicyclo[3.2.1]oct-2-ene-8-carboxylate
Brand: Angene
SKU: AG007RML
Rating: 90 (10 reviews)

(1R,5S)-tert-butyl 3-(trifluoromethylsulfonyloxy)-8-azabicyclo[3.2.1]oct-2-ene-8-carboxylate

CAS No.:

185099-68-7

Catalog Number:

AG007RML

Molecular Formula:

C13H18F3NO5S

Molecular Weight:

357.3459

Catalog Number:

AG007RML

Chemical Name:

(1R,5S)-tert-butyl 3-(trifluoromethylsulfonyloxy)-8-azabicyclo[3.2.1]oct-2-ene-8-carboxylate

CAS Number:

185099-68-7

Molecular Formula:

C13H18F3NO5S

Molecular Weight:

357.3459

MDL Number:

MFCD14635483

IUPAC Name:

tert-butyl 3-(trifluoromethylsulfonyloxy)-8-azabicyclo[3.2.1]oct-2-ene-8-carboxylate

InChI:

InChI=1S/C13H18F3NO5S/c1-12(2,3)21-11(18)17-8-4-5-9(17)7-10(6-8)22-23(19,20)13(14,15)16/h6,8-9H,4-5,7H2,1-3H3

InChI Key:

CJDKVEWDWXIBSM-UHFFFAOYSA-N

SMILES:

O=C(N1C2CCC1C=C(C2)OS(=O)(=O)C(F)(F)F)OC(C)(C)C

Complexity:

615

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

357.086g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

357.344g/mol

Monoisotopic Mass:

357.086g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

81.3A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

2.9