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ethyl 2-phenyl-1H-imidazole-4-carboxylate

ethyl 2-phenyl-1H-imidazole-4-carboxylate

CAS: 32683-00-4

Formula: C12H12N2O2

SMILES: CCOC(=O)C1=CNC(=N1)C1=CC=CC=C1

IUPAC: ethyl 2-phenyl-1H-imidazole-4-carboxylate

InChI: InChI=1S/C12H12N2O2/c1-2-16-12(15)10-8-13-11(14-10)9-6-4-3-5-7-9/h3-8H,2H2,1H3,(H,13,14)

Composition: C (66.65%), H (5.59%), N (12.96%), O (14.80%)

Molar Mass: 216.24

Atom Count: 28

Heavy Atom Count: 16

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 0
Exact Mass 216.089877634
Formal Charge 0
FSP3 0.17
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 2
Hydrogen Bond Donor Count 1
InChIKey UABZXMAUPKBULM-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 70.52
Topological Polar Surface Area 54.98
Polarizability 23.68
Ring Count 2
Rotatable Bond Count 4

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