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ethyl 2-(3-fluorophenyl)-5-methyl-1H-imidazole-4-carboxylate

ethyl 2-(3-fluorophenyl)-5-methyl-1H-imidazole-4-carboxylate

Formula: C13H13FN2O2

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

IUPAC: ethyl 2-(3-fluorophenyl)-5-methyl-1H-imidazole-4-carboxylate

InChI: InChI=1S/C13H13FN2O2/c1-3-18-13(17)11-8(2)15-12(16-11)9-5-4-6-10(14)7-9/h4-7H,3H2,1-2H3,(H,15,16)

Composition: C (62.90%), H (5.28%), F (7.65%), N (11.28%), O (12.89%)

Molar Mass: 248.257

Atom Count: 31

Heavy Atom Count: 18

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 0
Exact Mass 248.09610583
Formal Charge 0
FSP3 0.23
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 2
Hydrogen Bond Donor Count 1
InChIKey VXRRWVSOXFYGEW-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 75.88
Topological Polar Surface Area 54.98
Polarizability 25.12
Ring Count 2
Rotatable Bond Count 4

Suppliers

Purity (%)
-
Ships Within
Days
Packet Size
Struchem co.,ltd
Purity LeadTime Formula PacketSize UnitPrice
95% <5 Days C13H13FN2O2 $1,540.00-$2,860.00$1,540.00$1,760.00$2,860.00
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