Name: Name:5-[(tert-butoxy)carbonyl]-7,7-difluoro-2-oxa-5-azabicyclo[4.1.0]heptane-4-carboxylic acid
Brand: Angene
SKU: AG01B45L
Rating: 90 (10 reviews)

5-[(tert-butoxy)carbonyl]-7,7-difluoro-2-oxa-5-azabicyclo[4.1.0]heptane-4-carboxylic acid

CAS No.:

1822535-60-3

Catalog Number:

AG01B45L

Molecular Formula:

C11H15F2NO5

Molecular Weight:

279.2373

Catalog Number:

AG01B45L

Chemical Name:

5-[(tert-butoxy)carbonyl]-7,7-difluoro-2-oxa-5-azabicyclo[4.1.0]heptane-4-carboxylic acid

CAS Number:

1822535-60-3

Molecular Formula:

C11H15F2NO5

Molecular Weight:

279.2373

MDL Number:

MFCD24532719

IUPAC Name:

7,7-difluoro-5-[(2-methylpropan-2-yl)oxycarbonyl]-2-oxa-5-azabicyclo[4.1.0]heptane-4-carboxylic acid

InChI:

InChI=1S/C11H15F2NO5/c1-10(2,3)19-9(17)14-5(8(15)16)4-18-7-6(14)11(7,12)13/h5-7H,4H2,1-3H3,(H,15,16)

InChI Key:

GBBWKZOBCAPOHX-UHFFFAOYSA-N

SMILES:

OC(=O)C1COC2C(N1C(=O)OC(C)(C)C)C2(F)F

Complexity:

420

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

279.092g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

279.24g/mol

Monoisotopic Mass:

279.092g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

76.1A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

0.9