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872604-79-0 | 1H-Benzimidazole-1-acetic acid, 2-(4-pyridinyl)-, ethyl ester
CAS No: 872604-79-0 Catalog No: AG004MIQ MDL No:
Product Description
Catalog Number:
AG004MIQ
Chemical Name:
1H-Benzimidazole-1-acetic acid, 2-(4-pyridinyl)-, ethyl ester
CAS Number:
872604-79-0
Molecular Formula:
C16H15N3O2
Molecular Weight:
281.3092
IUPAC Name:
ethyl 2-(2-pyridin-4-ylbenzimidazol-1-yl)acetate
InChI:
InChI=1S/C16H15N3O2/c1-2-21-15(20)11-19-14-6-4-3-5-13(14)18-16(19)12-7-9-17-10-8-12/h3-10H,2,11H2,1H3
InChI Key:
WWNKMKYHEQWYST-UHFFFAOYSA-N
SMILES:
CCOC(=O)Cn1c(nc2c1cccc2)c1ccncc1
Properties
Complexity:
357
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
281.116g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
281.315g/mol
Monoisotopic Mass:
281.116g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
57A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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