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Home > Imidazoles > 89090-06-2
89090-06-2 | 1H-Imidazo[4,5-c]pyridine, 2-[4-methoxy-2-(pentyloxy)phenyl]-
CAS No: 89090-06-2 Catalog No: AG00878U MDL No:
Product Description
Catalog Number:
AG00878U
Chemical Name:
1H-Imidazo[4,5-c]pyridine, 2-[4-methoxy-2-(pentyloxy)phenyl]-
CAS Number:
89090-06-2
Molecular Formula:
C18H21N3O2
Molecular Weight:
311.3782
IUPAC Name:
2-(4-methoxy-2-pentoxyphenyl)-3H-imidazo[4,5-c]pyridine
InChI:
InChI=1S/C18H21N3O2/c1-3-4-5-10-23-17-11-13(22-2)6-7-14(17)18-20-15-8-9-19-12-16(15)21-18/h6-9,11-12H,3-5,10H2,1-2H3,(H,20,21)
InChI Key:
ROXTWZVKRBSLEF-UHFFFAOYSA-N
SMILES:
CCCCCOc1cc(OC)ccc1c1nc2c([nH]1)ccnc2
Properties
Complexity:
355
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
311.163g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
311.385g/mol
Monoisotopic Mass:
311.163g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
60A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.4
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