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N1-[4-nitro-2-(trifluoromethyl)phenyl]propane-1,3-diamine

N1-[4-nitro-2-(trifluoromethyl)phenyl]propane-1,3-diamine

Formula: C10H12F3N3O2

SMILES: NCCCNC1=CC=C(C=C1C(F)(F)F)[N+]([O-])=O

IUPAC: N1-[4-nitro-2-(trifluoromethyl)phenyl]propane-1,3-diamine

InChI: InChI=1S/C10H12F3N3O2/c11-10(12,13)8-6-7(16(17)18)2-3-9(8)15-5-1-4-14/h2-3,6,15H,1,4-5,14H2

Composition: C (45.63%), H (4.60%), F (21.65%), N (15.96%), O (12.16%)

Molar Mass: 263.22

Atom Count: 30

Heavy Atom Count: 18

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 263.088161127
Formal Charge 0
FSP3 0.4
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 4
Hydrogen Bond Donor Count 2
InChIKey XIUIJVYLNXWBFZ-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 61.36
Topological Polar Surface Area 81.19
Polarizability 21.67
Ring Count 1
Rotatable Bond Count 6

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Purity LeadTime Formula PacketSize UnitPrice
90% <16 Days C10H12F3N3O2 $33.80-$156.00$33.80$52.00$67.60$93.60$156.00
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