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157911-59-6 | 5-Pyrimidinamine, N-(4-nitrophenyl)-
CAS No: 157911-59-6 Catalog No: AG001PT0 MDL No:
Product Description
Catalog Number:
AG001PT0
Chemical Name:
5-Pyrimidinamine, N-(4-nitrophenyl)-
CAS Number:
157911-59-6
Molecular Formula:
C10H8N4O2
Molecular Weight:
216.1961
IUPAC Name:
N-(4-nitrophenyl)pyrimidin-5-amine
InChI:
InChI=1S/C10H8N4O2/c15-14(16)10-3-1-8(2-4-10)13-9-5-11-7-12-6-9/h1-7,13H
InChI Key:
TZDUIVMTDMCJPB-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1ccc(cc1)Nc1cncnc1
Properties
Complexity:
230
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
216.065g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
216.2g/mol
Monoisotopic Mass:
216.065g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
83.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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