2-Pyrimidinamine, 4-(3-nitrophenyl)-


Chemical Name: 2-Pyrimidinamine, 4-(3-nitrophenyl)-
CAS Number: 240136-69-0
Product Number: AG00BIS2(AGN-PC-0KK729)
Synonyms:
MDL No:
Molecular Formula: C10H8N4O2
Molecular Weight: 216.1961

Identification/Properties


Computed Properties
Molecular Weight:
216.2g/mol
XLogP3:
1.3
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
5
Rotatable Bond Count:
1
Exact Mass:
216.065g/mol
Monoisotopic Mass:
216.065g/mol
Topological Polar Surface Area:
97.6A^2
Heavy Atom Count:
16
Formal Charge:
0
Complexity:
256
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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