Home Carbonyls 4-{[(tert-butoxy)carbonyl]amino}-3,3-difluorobutanoic acid

4-{[(tert-butoxy)carbonyl]amino}-3,3-difluorobutanoic acid

CAS No.:
1258651-05-6
Catalog Number:
AG019RIJ
Molecular Formula:
C9H15F2NO4
Molecular Weight:
239.2165
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Product Description
Catalog Number:
AG019RIJ
Chemical Name:
4-{[(tert-butoxy)carbonyl]amino}-3,3-difluorobutanoic acid
CAS Number:
1258651-05-6
Molecular Formula:
C9H15F2NO4
Molecular Weight:
239.2165
MDL Number:
MFCD17977162
IUPAC Name:
3,3-difluoro-4-[(2-methylpropan-2-yl)oxycarbonylamino]butanoic acid
InChI:
InChI=1S/C9H15F2NO4/c1-8(2,3)16-7(15)12-5-9(10,11)4-6(13)14/h4-5H2,1-3H3,(H,12,15)(H,13,14)
InChI Key:
SHPUQCXPJRHLEK-UHFFFAOYSA-N
SMILES:
O=C(OC(C)(C)C)NCC(CC(=O)O)(F)F
Properties
Complexity:
273  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
239.097g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
239.219g/mol
Monoisotopic Mass:
239.097g/mol
Rotatable Bond Count:
6  
Topological Polar Surface Area:
75.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1  
Properties