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ethyl 5-methyl-2-[2-(trifluoromethoxy)phenyl]-1H-imidazole-4-carboxylate

ethyl 5-methyl-2-[2-(trifluoromethoxy)phenyl]-1H-imidazole-4-carboxylate

Formula: C14H13F3N2O3

SMILES: CCOC(=O)C1=C(C)NC(=N1)C1=C(OC(F)(F)F)C=CC=C1

IUPAC: ethyl 5-methyl-2-[2-(trifluoromethoxy)phenyl]-1H-imidazole-4-carboxylate

InChI: InChI=1S/C14H13F3N2O3/c1-3-21-13(20)11-8(2)18-12(19-11)9-6-4-5-7-10(9)22-14(15,16)17/h4-7H,3H2,1-2H3,(H,18,19)

Composition: C (53.51%), H (4.17%), F (18.14%), N (8.91%), O (15.27%)

Molar Mass: 314.264

Atom Count: 35

Heavy Atom Count: 22

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 0
Exact Mass 314.087826776
Formal Charge 0
FSP3 0.29
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 1
InChIKey KCERKQZTSHQDOZ-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 78.74
Topological Polar Surface Area 64.21
Polarizability 27.34
Ring Count 2
Rotatable Bond Count 6

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Struchem co.,ltd
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Purity LeadTime Formula PacketSize UnitPrice
95% <5 Days C14H13F3N2O3 $1,540.00-$2,860.00$1,540.00$1,760.00$2,860.00
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