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

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

CAS: 1025678-02-7

Formula: C20H13ClF3N3O3

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

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

InChI: InChI=1S/C20H13ClF3N3O3/c21-15-3-1-2-13(10-15)19(28)30-27-18(25)12-4-7-16(8-5-12)29-17-9-6-14(11-26-17)20(22,23)24/h1-11H,(H2,25,27)

Composition: C (55.12%), H (3.01%), Cl (8.13%), F (13.08%), N (9.64%), O (11.01%)

Molar Mass: 435.79

Atom Count: 43

Heavy Atom Count: 30

Properties
Properties
Common Names N/A
Aromatic Ring Count 3
Asymmetric Atom Count 0
Exact Mass 435.0597535
Formal Charge 0
FSP3 0.05
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 4
Hydrogen Bond Donor Count 1
InChIKey GEPIMYBBSQXAGP-UHFFFAOYSA-N
Lipinski's Rule of Five
Molar Refractivity 104.08
Topological Polar Surface Area 86.8
Polarizability 38.67
Ring Count 3
Rotatable Bond Count 7

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Purity LeadTime CAS PacketSize UnitPrice
90% <2 Days 1025678-02-7 $51.35-$86.31$51.35$63.37$86.31
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