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86718-07-2 | Ethyl 4-(1H-imidazol-1-yl);benzoate
CAS No: 86718-07-2 Catalog No: AG003Q8O MDL No:MFCD03425368
Product Description
Catalog Number:
AG003Q8O
Chemical Name:
Ethyl 4-(1H-imidazol-1-yl);benzoate
CAS Number:
86718-07-2
Molecular Formula:
C12H12N2O2
Molecular Weight:
216.2359
MDL Number:
MFCD03425368
IUPAC Name:
ethyl 4-imidazol-1-ylbenzoate
InChI:
InChI=1S/C12H12N2O2/c1-2-16-12(15)10-3-5-11(6-4-10)14-8-7-13-9-14/h3-9H,2H2,1H3
InChI Key:
JXZSKUXJSZZMON-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1ccc(cc1)n1cncc1
Properties
Complexity:
237
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
216.09g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
216.24g/mol
Monoisotopic Mass:
216.09g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
44.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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