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methyl 2-{[2-(trifluoromethyl)pyridin-4-yl]amino}benzoate

methyl 2-{[2-(trifluoromethyl)pyridin-4-yl]amino}benzoate

CAS: 338393-28-5

Formula: C14H11F3N2O2

SMILES: COC(=O)C1=C(NC2=CC(=NC=C2)C(F)(F)F)C=CC=C1

IUPAC: methyl 2-{[2-(trifluoromethyl)pyridin-4-yl]amino}benzoate

InChI: InChI=1S/C14H11F3N2O2/c1-21-13(20)10-4-2-3-5-11(10)19-9-6-7-18-12(8-9)14(15,16)17/h2-8H,1H3,(H,18,19)

Composition: C (56.76%), H (3.74%), F (19.24%), N (9.46%), O (10.80%)

Molar Mass: 296.249

Atom Count: 32

Heavy Atom Count: 21

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 0
Exact Mass 296.077262091
Formal Charge 0
FSP3 0.14
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 1
InChIKey RDSNQEHOAXHYIR-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 70.01
Topological Polar Surface Area 51.22
Polarizability 25.74
Ring Count 2
Rotatable Bond Count 5

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Purity LeadTime CAS PacketSize UnitPrice
90% <2 Days 338393-28-5 $51.35-$524.40$51.35$63.37$86.31$524.40
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