Home Other Building Blocks Benzoic acid, 2-(1H-imidazol-1-yl)-, ethyl ester

Benzoic acid, 2-(1H-imidazol-1-yl)-, ethyl ester

CAS No.:
117296-92-1
Catalog Number:
AG000E29
Molecular Formula:
C12H12N2O2
Molecular Weight:
216.2359
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Product Description
Catalog Number:
AG000E29
Chemical Name:
Benzoic acid, 2-(1H-imidazol-1-yl)-, ethyl ester
CAS Number:
117296-92-1
Molecular Formula:
C12H12N2O2
Molecular Weight:
216.2359
MDL Number:
MFCD14706144
IUPAC Name:
ethyl 2-imidazol-1-ylbenzoate
InChI:
InChI=1S/C12H12N2O2/c1-2-16-12(15)10-5-3-4-6-11(10)14-8-7-13-9-14/h3-9H,2H2,1H3
InChI Key:
GKOGBVKQBZZPGT-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1ccccc1n1cncc1
Properties
Complexity:
245  
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  
Properties