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Home > Imidazoles > 857531-73-8
857531-73-8 | 1H-Pyrazole, 4-[4-[3-(1H-imidazol-1-yl)-1-phenoxypropyl]phenyl]-
CAS No: 857531-73-8 Catalog No: AG008GQL MDL No:
Product Description
Catalog Number:
AG008GQL
Chemical Name:
1H-Pyrazole, 4-[4-[3-(1H-imidazol-1-yl)-1-phenoxypropyl]phenyl]-
CAS Number:
857531-73-8
Molecular Formula:
C21H20N4O
Molecular Weight:
344.4097
IUPAC Name:
1-[3-phenoxy-3-[4-(1H-pyrazol-4-yl)phenyl]propyl]imidazole
InChI:
InChI=1S/C21H20N4O/c1-2-4-20(5-3-1)26-21(10-12-25-13-11-22-16-25)18-8-6-17(7-9-18)19-14-23-24-15-19/h1-9,11,13-16,21H,10,12H2,(H,23,24)
InChI Key:
YMOIUHMRAZGIKG-UHFFFAOYSA-N
SMILES:
c1ccc(cc1)OC(c1ccc(cc1)c1c[nH]nc1)CCn1cncc1
Properties
Complexity:
407
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
344.164g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
344.418g/mol
Monoisotopic Mass:
344.164g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
55.7A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4
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