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2-{2-[3-(trifluoromethyl)phenyl]ethenyl}-1,3-benzothiazole

2-{2-[3-(trifluoromethyl)phenyl]ethenyl}-1,3-benzothiazole

CAS: 338415-35-3

Formula: C16H10F3NS

SMILES: FC(F)(F)C1=CC=CC(C=CC2=NC3=CC=CC=C3S2)=C1

IUPAC: 2-{2-[3-(trifluoromethyl)phenyl]ethenyl}-1,3-benzothiazole

InChI: InChI=1S/C16H10F3NS/c17-16(18,19)12-5-3-4-11(10-12)8-9-15-20-13-6-1-2-7-14(13)21-15/h1-10H

Composition: C (62.94%), H (3.30%), F (18.67%), N (4.59%), S (10.50%)

Molar Mass: 305.32

Atom Count: 31

Heavy Atom Count: 21

Properties
Properties
Common Names N/A
Aromatic Ring Count 3
Asymmetric Atom Count 0
Exact Mass 305.048604989
Formal Charge 0
FSP3 0.06
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 1
Hydrogen Bond Donor Count 0
InChIKey QMIFGWDMXSGHFP-UHFFFAOYSA-N
Lipinski's Rule of Five
Molar Refractivity 77.96
Topological Polar Surface Area 12.89
Polarizability 29.59
Ring Count 3
Rotatable Bond Count 3

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90% <2 Days 338415-35-3 $51.35-$86.31$51.35$63.37$86.31
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