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

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

CAS: 78743-00-7

Formula: C14H12F3NO2S

SMILES: CCOC(=O)CC1=CSC(=N1)C1=CC(=CC=C1)C(F)(F)F

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

InChI: InChI=1S/C14H12F3NO2S/c1-2-20-12(19)7-11-8-21-13(18-11)9-4-3-5-10(6-9)14(15,16)17/h3-6,8H,2,7H2,1H3

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	HKPMEWPCXFJKTB-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	82.8
Topological Polar Surface Area	39.19
Polarizability	27.66
Ring Count	2
Rotatable Bond Count	6

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