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N2-(2-fluorophenyl)-5-nitro-N4-phenylpyrimidine-2,4,6-triamine

N2-(2-fluorophenyl)-5-nitro-N4-phenylpyrimidine-2,4,6-triamine

Formula: C16H13FN6O2

SMILES: NC1=C(C(NC2=CC=CC=C2)=NC(NC2=CC=CC=C2F)=N1)[N+]([O-])=O

IUPAC: N2-(2-fluorophenyl)-5-nitro-N4-phenylpyrimidine-2,4,6-triamine

InChI: InChI=1S/C16H13FN6O2/c17-11-8-4-5-9-12(11)20-16-21-14(18)13(23(24)25)15(22-16)19-10-6-2-1-3-7-10/h1-9H,(H4,18,19,20,21,22)

Composition: C (56.47%), H (3.85%), F (5.58%), N (24.70%), O (9.40%)

Molar Mass: 340.318

Atom Count: 38

Heavy Atom Count: 25

Properties
Properties
Common Names N/A
Aromatic Ring Count 3
Asymmetric Atom Count 0
Exact Mass 340.108401846
Formal Charge 0
FSP3 0
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 7
Hydrogen Bond Donor Count 3
InChIKey OBLAWGOIUILBGT-UHFFFAOYSA-N
Lipinski's Rule of Five
Molar Refractivity 91.51
Topological Polar Surface Area 119
Polarizability 32.74
Ring Count 3
Rotatable Bond Count 5

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Purity (%)
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Ships Within
Days
Packet Size
Molecule Market Select
Purity LeadTime Formula PacketSize UnitPrice
90% <16 Days C16H13FN6O2 $33.80-$156.00$33.80$52.00$67.60$93.60$156.00
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