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3-{2-[3-(trifluoromethyl)phenoxy]phenyl}prop-2-enoic acid

3-{2-[3-(trifluoromethyl)phenoxy]phenyl}prop-2-enoic acid

CAS: 449778-81-8

Formula: C16H11F3O3

SMILES: OC(=O)C=CC1=C(OC2=CC=CC(=C2)C(F)(F)F)C=CC=C1

IUPAC: 3-{2-[3-(trifluoromethyl)phenoxy]phenyl}prop-2-enoic acid

InChI: InChI=1S/C16H11F3O3/c17-16(18,19)12-5-3-6-13(10-12)22-14-7-2-1-4-11(14)8-9-15(20)21/h1-10H,(H,20,21)

Composition: C (62.34%), H (3.60%), F (18.49%), O (15.57%)

Molar Mass: 308.256

Atom Count: 33

Heavy Atom Count: 22

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 0
Exact Mass 308.066028703
Formal Charge 0
FSP3 0.06
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 2
Hydrogen Bond Donor Count 1
InChIKey IBBJOWCFBWEAEQ-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 75.27
Topological Polar Surface Area 46.53
Polarizability 27.54
Ring Count 2
Rotatable Bond Count 5

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95% <2 Days 449778-81-8 $51.35-$1,078.30$51.35$63.37$86.31$225.06$359.43$1,078.30
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