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83520-66-5 | ETHYL 2-(1H-BENZOIMIDAZOL-2-YL)-3-PHENYL-PROP-2-ENOATE
CAS No: 83520-66-5 Catalog No: AG008J9W MDL No:
Product Description
Catalog Number:
AG008J9W
Chemical Name:
ETHYL 2-(1H-BENZOIMIDAZOL-2-YL)-3-PHENYL-PROP-2-ENOATE
CAS Number:
83520-66-5
Molecular Formula:
C18H16N2O2
Molecular Weight:
292.3318
IUPAC Name:
ethyl 2-(1H-benzimidazol-2-yl)-3-phenylprop-2-enoate
InChI:
InChI=1S/C18H16N2O2/c1-2-22-18(21)14(12-13-8-4-3-5-9-13)17-19-15-10-6-7-11-16(15)20-17/h3-12H,2H2,1H3,(H,19,20)
InChI Key:
QKBUQPKNLKIARZ-UHFFFAOYSA-N
SMILES:
CCOC(=O)C(=Cc1ccccc1)c1nc2c([nH]1)cccc2
Properties
Complexity:
415
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
292.121g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
292.338g/mol
Monoisotopic Mass:
292.121g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
55A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
3.8
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