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3-[4-(trifluoromethyl)pyridin-3-yl]propanoic acid

3-[4-(trifluoromethyl)pyridin-3-yl]propanoic acid

Formula: C9H8F3NO2

SMILES: OC(=O)CCC1=CN=CC=C1C(F)(F)F

IUPAC: 3-[4-(trifluoromethyl)pyridin-3-yl]propanoic acid

InChI: InChI=1S/C9H8F3NO2/c10-9(11,12)7-3-4-13-5-6(7)1-2-8(14)15/h3-5H,1-2H2,(H,14,15)

Composition: C (49.32%), H (3.68%), F (26.01%), N (6.39%), O (14.60%)

Molar Mass: 219.163

Atom Count: 23

Heavy Atom Count: 15

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 219.050712991
Formal Charge 0
FSP3 0.33
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 1
InChIKey LKVDCFMYNUOEDD-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 45.78
Topological Polar Surface Area 50.19
Polarizability 16.84
Ring Count 1
Rotatable Bond Count 4

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Purity LeadTime Formula PacketSize UnitPrice
95% 1 Day C9H8F3NO2 $383.29-$1,415.23$383.29$707.62$1,415.23
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