Home Carboxys ethyl 1-benzylimidazole-2-carboxylate

ethyl 1-benzylimidazole-2-carboxylate

CAS No.:
865998-45-4
Catalog Number:
AG00IE4Z
Molecular Formula:
C13H14N2O2
Molecular Weight:
230.2625
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Product Description
Catalog Number:
AG00IE4Z
Chemical Name:
ethyl 1-benzylimidazole-2-carboxylate
CAS Number:
865998-45-4
Molecular Formula:
C13H14N2O2
Molecular Weight:
230.2625
MDL Number:
MFCD11857953
IUPAC Name:
ethyl 1-benzylimidazole-2-carboxylate
InChI:
InChI=1S/C13H14N2O2/c1-2-17-13(16)12-14-8-9-15(12)10-11-6-4-3-5-7-11/h3-9H,2,10H2,1H3
InChI Key:
IKHCKQVOPBTOEG-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1nccn1Cc1ccccc1
Properties
Complexity:
252  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
230.106g/mol
Formal Charge:
0
Heavy Atom Count:
17  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
230.267g/mol
Monoisotopic Mass:
230.106g/mol
Rotatable Bond Count:
5  
Topological Polar Surface Area:
44.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2  
Properties