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113270-69-2 | 1H-Imidazo[4,5-b]pyridine, 2-(4-ethylphenyl)-
CAS No: 113270-69-2 Catalog No: AG00823D MDL No:
Product Description
Catalog Number:
AG00823D
Chemical Name:
1H-Imidazo[4,5-b]pyridine, 2-(4-ethylphenyl)-
CAS Number:
113270-69-2
Molecular Formula:
C14H13N3
Molecular Weight:
223.2731
IUPAC Name:
2-(4-ethylphenyl)-1H-imidazo[4,5-b]pyridine
InChI:
InChI=1S/C14H13N3/c1-2-10-5-7-11(8-6-10)13-16-12-4-3-9-15-14(12)17-13/h3-9H,2H2,1H3,(H,15,16,17)
InChI Key:
PHUGXMHTPXIRLN-UHFFFAOYSA-N
SMILES:
CCc1ccc(cc1)c1nc2c([nH]1)cccn2
Properties
Complexity:
248
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
223.111g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
223.279g/mol
Monoisotopic Mass:
223.111g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
41.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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