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N-(2-{[3-chloro-5-(trifluoromethyl)pyridin-2-yl]oxy}ethyl)-4-nitrobenzamide

N-(2-{[3-chloro-5-(trifluoromethyl)pyridin-2-yl]oxy}ethyl)-4-nitrobenzamide

CAS: 1610047-56-7

Formula: C15H11ClF3N3O4

SMILES: [O-][N+](=O)C1=CC=C(C=C1)C(=O)NCCOC1=C(Cl)C=C(C=N1)C(F)(F)F

IUPAC: N-(2-{[3-chloro-5-(trifluoromethyl)pyridin-2-yl]oxy}ethyl)-4-nitrobenzamide

InChI: InChI=1S/C15H11ClF3N3O4/c16-12-7-10(15(17,18)19)8-21-14(12)26-6-5-20-13(23)9-1-3-11(4-2-9)22(24)25/h1-4,7-8H,5-6H2,(H,20,23)

Composition: C (46.23%), H (2.85%), Cl (9.10%), F (14.62%), N (10.78%), O (16.42%)

Molar Mass: 389.72

Atom Count: 37

Heavy Atom Count: 26

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 0
Exact Mass 389.039018
Formal Charge 0
FSP3 0.2
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 5
Hydrogen Bond Donor Count 1
InChIKey VADVHLMHOXFXSP-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 85.84
Topological Polar Surface Area 94.36
Polarizability 31.47
Ring Count 2
Rotatable Bond Count 7

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Purity LeadTime CAS PacketSize UnitPrice
97% <2 Days 1610047-56-7 $51.35-$359.43$51.35$63.37$86.31$225.06$359.43
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