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4-[8-(3-fluorophenyl)-1,7-naphthyridin-6-yl]cyclohexane-1-carboxylic acid

4-[8-(3-fluorophenyl)-1,7-naphthyridin-6-yl]cyclohexane-1-carboxylic acid

CAS: 524734-30-3

Formula: C21H19FN2O2

SMILES: OC(=O)C1CCC(CC1)C1=CC2=CC=CN=C2C(=N1)C1=CC=CC(F)=C1

IUPAC: 4-[8-(3-fluorophenyl)-1,7-naphthyridin-6-yl]cyclohexane-1-carboxylic acid

InChI: InChI=1S/C21H19FN2O2/c22-17-5-1-3-15(11-17)20-19-16(4-2-10-23-19)12-18(24-20)13-6-8-14(9-7-13)21(25)26/h1-5,10-14H,6-9H2,(H,25,26)

Composition: C (71.99%), H (5.47%), F (5.42%), N (8.00%), O (9.13%)

Molar Mass: 350.393

Atom Count: 45

Heavy Atom Count: 26

Properties
Properties
Common Names N/A
Aromatic Ring Count 3
Asymmetric Atom Count 0
Exact Mass 350.143056023
Formal Charge 0
FSP3 0.29
Hetero Ring Count 2
Hydrogen Bond Acceptor Count 4
Hydrogen Bond Donor Count 1
InChIKey XWVBOPKUSVZZPJ-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 94.84
Topological Polar Surface Area 63.08
Polarizability 39.25
Ring Count 4
Rotatable Bond Count 3

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Purity LeadTime CAS PacketSize UnitPrice
95% <2 Days 524734-30-3 $51.35-$524.40$51.35$63.37$86.31$524.40
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