Name: Name:tert-butyl 7,7-difluoro-2-azabicyclo[4.1.0]heptane-2-carboxylate, Mixture of isomers
Brand: Angene
SKU: AG019ZXV
Rating: 90 (10 reviews)

tert-butyl 7,7-difluoro-2-azabicyclo[4.1.0]heptane-2-carboxylate, Mixture of isomers

CAS No.:

1704724-76-4

Catalog Number:

AG019ZXV

Molecular Formula:

C11H17F2NO2

Molecular Weight:

233.2550

Catalog Number:

AG019ZXV

Chemical Name:

tert-butyl 7,7-difluoro-2-azabicyclo[4.1.0]heptane-2-carboxylate, Mixture of isomers

CAS Number:

1704724-76-4

Molecular Formula:

C11H17F2NO2

Molecular Weight:

233.2550

MDL Number:

MFCD27500659

IUPAC Name:

tert-butyl 7,7-difluoro-2-azabicyclo[4.1.0]heptane-2-carboxylate

InChI:

InChI=1S/C11H17F2NO2/c1-10(2,3)16-9(15)14-6-4-5-7-8(14)11(7,12)13/h7-8H,4-6H2,1-3H3

InChI Key:

HDWQLYOAWXSNNF-UHFFFAOYSA-N

SMILES:

O=C(N1CCCC2C1C2(F)F)OC(C)(C)C

Complexity:

312

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

233.123g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

233.259g/mol

Monoisotopic Mass:

233.123g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

29.5A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

2.4