Benzeneacetic acid, a-hydroxy-, (aR)-, compd. with(1R,2S)-2-(3,4-difluorophenyl)cyclopropanamine (1:1)


Chemical Name: Benzeneacetic acid, a-hydroxy-, (aR)-, compd. with(1R,2S)-2-(3,4-difluorophenyl)cyclopropanamine (1:1)
CAS Number: 376608-71-8
Product Number: AG003BH6(AGN-PC-0REH3P)
Synonyms:
MDL No:
Molecular Formula: C17H17F2NO3
Molecular Weight: 321.3186

Identification/Properties


Properties
MP:
158-164°C
Storage:
Inert atmosphere;2-8℃;
Form:
Solid
Computed Properties
Molecular Weight:
321.324g/mol
Hydrogen Bond Donor Count:
3
Hydrogen Bond Acceptor Count:
6
Rotatable Bond Count:
3
Exact Mass:
321.118g/mol
Monoisotopic Mass:
321.118g/mol
Topological Polar Surface Area:
83.6A^2
Heavy Atom Count:
23
Formal Charge:
0
Complexity:
312
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
3
Undefined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Covalently-Bonded Unit Count:
2
Compound Is Canonicalized:
Yes

Safety Information


NMR Spectrum


Other Analytical Data


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