6,6-Difluoro-3-azabicyclo[3.1.0]hexane oxalate(2:1)


Chemical Name: 6,6-Difluoro-3-azabicyclo[3.1.0]hexane oxalate(2:1)
CAS Number: 1630906-58-9
Product Number: AG001TQ9(AGN-PC-0WAM0Z)
Synonyms:
MDL No:
Molecular Formula: C12H16F4N2O4
Molecular Weight: 328.2601

Identification/Properties


Computed Properties
Molecular Weight:
328.264g/mol
Hydrogen Bond Donor Count:
4
Hydrogen Bond Acceptor Count:
10
Rotatable Bond Count:
1
Exact Mass:
328.105g/mol
Monoisotopic Mass:
328.105g/mol
Topological Polar Surface Area:
98.7A^2
Heavy Atom Count:
22
Formal Charge:
0
Complexity:
183
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
0
Undefined Atom Stereocenter Count:
4
Defined Bond Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Covalently-Bonded Unit Count:
3
Compound Is Canonicalized:
Yes

Safety Information


GHS Pictogram:
Signal Word:
Warning
UN#:
N/A
Hazard Statements:
H302-H315-H319-H335
Precautionary Statements:
P261-P305+P351+P338
Class:
N/A
Packing Group:
N/A

NMR Spectrum


Other Analytical Data


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