iMAC2


Chemical Name: iMAC2
CAS Number: 335166-00-2
Product Number: AG01E46S(AGN-PC-0WAI1Z)
Synonyms:
MDL No:
Molecular Formula: C19H22Br2Cl2FN3
Molecular Weight: 542.1104832

Identification/Properties


Computed Properties
Molecular Weight:
542.112g/mol
Hydrogen Bond Donor Count:
3
Hydrogen Bond Acceptor Count:
3
Rotatable Bond Count:
4
Exact Mass:
540.952g/mol
Monoisotopic Mass:
538.954g/mol
Topological Polar Surface Area:
20.2A^2
Heavy Atom Count:
27
Formal Charge:
0
Complexity:
422
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
0
Undefined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Covalently-Bonded Unit Count:
3
Compound Is Canonicalized:
Yes

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NMR Spectrum


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