Name: Name:tert-butyl 5-{[(trifluoromethyl)sulfonyl]oxy}-3,4-dihydropyridine-1(2H)-carboxylate
Brand: Angene
SKU: AG00ACUM
Rating: 90 (10 reviews)

tert-butyl 5-{[(trifluoromethyl)sulfonyl]oxy}-3,4-dihydropyridine-1(2H)-carboxylate

CAS No.:

149108-74-7

Catalog Number:

AG00ACUM

Molecular Formula:

C11H16F3NO5S

Molecular Weight:

331.3086

Catalog Number:

AG00ACUM

Chemical Name:

tert-butyl 5-{[(trifluoromethyl)sulfonyl]oxy}-3,4-dihydropyridine-1(2H)-carboxylate

CAS Number:

149108-74-7

Molecular Formula:

C11H16F3NO5S

Molecular Weight:

331.3086

MDL Number:

MFCD14702879

IUPAC Name:

tert-butyl 5-(trifluoromethylsulfonyloxy)-3,4-dihydro-2H-pyridine-1-carboxylate

InChI:

InChI=1S/C11H16F3NO5S/c1-10(2,3)19-9(16)15-6-4-5-8(7-15)20-21(17,18)11(12,13)14/h7H,4-6H2,1-3H3

InChI Key:

ZRKPIWQNLHUKOY-UHFFFAOYSA-N

SMILES:

O=C(N1CCCC(=C1)OS(=O)(=O)C(F)(F)F)OC(C)(C)C

Complexity:

528

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

331.07g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

331.306g/mol

Monoisotopic Mass:

331.07g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

81.3A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

2.4