9H-Purin-6-amine, 9-[(2-chloro-6-fluorophenyl)methyl]-


Chemical Name: 9H-Purin-6-amine, 9-[(2-chloro-6-fluorophenyl)methyl]-
CAS Number: 55779-18-5
Product Number: AG00I9Y6(AGN-PC-0JKS5U)
Synonyms:
MDL No:
Molecular Formula: C12H9ClFN5
Molecular Weight: 277.6848

Identification/Properties


Computed Properties
Molecular Weight:
277.687g/mol
XLogP3:
2.4
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
5
Rotatable Bond Count:
2
Exact Mass:
277.053g/mol
Monoisotopic Mass:
277.053g/mol
Topological Polar Surface Area:
69.6A^2
Heavy Atom Count:
19
Formal Charge:
0
Complexity:
321
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
0
Undefined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Covalently-Bonded Unit Count:
1
Compound Is Canonicalized:
Yes

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NMR Spectrum


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