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109461-69-0 | Benzoic acid, 4-(6-methylimidazo[1,2-a]pyridin-2-yl)-, ethyl ester
CAS No: 109461-69-0 Catalog No: AG007AUP MDL No:
Product Description
Catalog Number:
AG007AUP
Chemical Name:
Benzoic acid, 4-(6-methylimidazo[1,2-a]pyridin-2-yl)-, ethyl ester
CAS Number:
109461-69-0
Molecular Formula:
C17H16N2O2
Molecular Weight:
280.3211
IUPAC Name:
ethyl 4-(6-methylimidazo[1,2-a]pyridin-2-yl)benzoate
InChI:
InChI=1S/C17H16N2O2/c1-3-21-17(20)14-7-5-13(6-8-14)15-11-19-10-12(2)4-9-16(19)18-15/h4-11H,3H2,1-2H3
InChI Key:
JOQPDAAQTAOZFH-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1ccc(cc1)c1cn2c(n1)ccc(c2)C
Properties
Complexity:
366
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
280.121g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
280.327g/mol
Monoisotopic Mass:
280.121g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
43.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4
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