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4-[4-(trifluoromethyl)phenyl]-1,3-thiazole-2-carboxylic acid

4-[4-(trifluoromethyl)phenyl]-1,3-thiazole-2-carboxylic acid

CAS: 886366-98-9

Formula: C11H6F3NO2S

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

IUPAC: 4-[4-(trifluoromethyl)phenyl]-1,3-thiazole-2-carboxylic acid

InChI: InChI=1S/C11H6F3NO2S/c12-11(13,14)7-3-1-6(2-4-7)8-5-18-9(15-8)10(16)17/h1-5H,(H,16,17)

Composition: C (48.36%), H (2.21%), F (20.86%), N (5.13%), O (11.71%), S (11.73%)

Molar Mass: 273.23

Atom Count: 24

Heavy Atom Count: 18

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 0
Exact Mass 273.0071341
Formal Charge 0
FSP3 0.09
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 1
InChIKey VPHQUMSAFIQECF-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 58.74
Topological Polar Surface Area 50.19
Polarizability 22.62
Ring Count 2
Rotatable Bond Count 3

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95% <5 Days 886366-98-9 $1,460.00-$2,530.00$1,460.00$1,760.00$2,530.00
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