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4-{4-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl}benzoic acid

4-{4-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl}benzoic acid

CAS: 321430-15-3

Formula: C17H10F3NO2S

SMILES: OC(=O)C1=CC=C(C=C1)C1=NC(=CS1)C1=CC(=CC=C1)C(F)(F)F

IUPAC: 4-{4-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl}benzoic acid

InChI: InChI=1S/C17H10F3NO2S/c18-17(19,20)13-3-1-2-12(8-13)14-9-24-15(21-14)10-4-6-11(7-5-10)16(22)23/h1-9H,(H,22,23)

Composition: C (58.45%), H (2.89%), F (16.32%), N (4.01%), O (9.16%), S (9.18%)

Molar Mass: 349.33

Atom Count: 34

Heavy Atom Count: 24

Properties
Properties
Common Names N/A
Aromatic Ring Count 3
Asymmetric Atom Count 0
Exact Mass 349.038434229
Formal Charge 0
FSP3 0.06
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 1
InChIKey GWHSPAGSUKYSEY-UHFFFAOYSA-N
Lipinski's Rule of Five
Molar Refractivity 94.36
Topological Polar Surface Area 50.19
Polarizability 32.65
Ring Count 3
Rotatable Bond Count 4

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Purity LeadTime CAS PacketSize UnitPrice
90% <2 Days 321430-15-3 $51.35-$524.40$51.35$63.37$86.31$524.40
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