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

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

CAS: 317319-21-4

Formula: C14H11F4NO2S

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

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

InChI: InChI=1S/C14H11F4NO2S/c1-3-21-13(20)11-7(2)19-12(22-11)8-4-5-9(10(15)6-8)14(16,17)18/h4-6H,3H2,1-2H3

Composition: C (50.45%), H (3.33%), F (22.80%), N (4.20%), O (9.60%), S (9.62%)

Molar Mass: 333.3

Atom Count: 33

Heavy Atom Count: 22

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	333.044662424
Formal Charge	0
FSP3	0.29
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
InChIKey	LCWBJARQUMMJMT-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	83.71
Topological Polar Surface Area	39.19
Polarizability	27.43
Ring Count	2
Rotatable Bond Count	5

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Struchem co.,ltd

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