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ethyl 4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazole-5-carboxylate

ethyl 4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazole-5-carboxylate

CAS: 175277-03-9

Formula: C14H12F3NO2S

SMILES: CCOC(=O)C1=C(C)N=C(S1)C1=CC=C(C=C1)C(F)(F)F

IUPAC: ethyl 4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazole-5-carboxylate

InChI: InChI=1S/C14H12F3NO2S/c1-3-20-13(19)11-8(2)18-12(21-11)9-4-6-10(7-5-9)14(15,16)17/h4-7H,3H2,1-2H3

Composition: C (53.33%), H (3.84%), F (18.08%), N (4.44%), O (10.15%), S (10.17%)

Molar Mass: 315.31

Atom Count: 33

Heavy Atom Count: 21

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 0
Exact Mass 315.054084293
Formal Charge 0
FSP3 0.29
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 2
Hydrogen Bond Donor Count 0
InChIKey LPIXRQSYBTUXOQ-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 83.49
Topological Polar Surface Area 39.19
Polarizability 27.59
Ring Count 2
Rotatable Bond Count 5

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