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[amino(4-{[3-chloro-5-(trifluoromethyl)pyridin-2-yl]oxy}phenyl)methylidene]amino 2-phenoxypyridine-3-carboxylate

[amino(4-{[3-chloro-5-(trifluoromethyl)pyridin-2-yl]oxy}phenyl)methylidene]amino 2-phenoxypyridine-3-carboxylate

CAS: 1025251-11-9

Formula: C25H16ClF3N4O4

SMILES: NC(=NOC(=O)C1=C(OC2=CC=CC=C2)N=CC=C1)C1=CC=C(OC2=C(Cl)C=C(C=N2)C(F)(F)F)C=C1

IUPAC: [amino(4-{[3-chloro-5-(trifluoromethyl)pyridin-2-yl]oxy}phenyl)methylidene]amino 2-phenoxypyridine-3-carboxylate

InChI: InChI=1S/C25H16ClF3N4O4/c26-20-13-16(25(27,28)29)14-32-23(20)36-18-10-8-15(9-11-18)21(30)33-37-24(34)19-7-4-12-31-22(19)35-17-5-2-1-3-6-17/h1-14H,(H2,30,33)

Composition: C (56.78%), H (3.05%), Cl (6.70%), F (10.78%), N (10.59%), O (12.10%)

Molar Mass: 528.87

Atom Count: 53

Heavy Atom Count: 37

Properties
Properties
Common Names N/A
Aromatic Ring Count 4
Asymmetric Atom Count 0
Exact Mass 528.0812172
Formal Charge 0
FSP3 0.04
Hetero Ring Count 2
Hydrogen Bond Acceptor Count 5
Hydrogen Bond Donor Count 1
InChIKey FWARHIGTFCVSEN-UHFFFAOYSA-N
Lipinski's Rule of Five
Molar Refractivity 128.48
Topological Polar Surface Area 108.92
Polarizability 48.13
Ring Count 4
Rotatable Bond Count 9

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Purity LeadTime CAS PacketSize UnitPrice
90% <2 Days 1025251-11-9 $51.35-$86.31$51.35$63.37$86.31
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