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Home > Imidazoles > 89075-50-3
89075-50-3 | 1H-Imidazo[4,5-c]pyridine, 2-(4-butoxyphenyl)-
CAS No: 89075-50-3 Catalog No: AG0040EA MDL No:
Product Description
Catalog Number:
AG0040EA
Chemical Name:
1H-Imidazo[4,5-c]pyridine, 2-(4-butoxyphenyl)-
CAS Number:
89075-50-3
Molecular Formula:
C16H17N3O
Molecular Weight:
267.3257
IUPAC Name:
2-(4-butoxyphenyl)-3H-imidazo[4,5-c]pyridine
InChI:
InChI=1S/C16H17N3O/c1-2-3-10-20-13-6-4-12(5-7-13)16-18-14-8-9-17-11-15(14)19-16/h4-9,11H,2-3,10H2,1H3,(H,18,19)
InChI Key:
MTROFIFJRFQESG-UHFFFAOYSA-N
SMILES:
CCCCOc1ccc(cc1)c1[nH]c2c(n1)cncc2
Properties
Complexity:
291
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
267.137g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
267.332g/mol
Monoisotopic Mass:
267.137g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
50.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3
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