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88138-70-9 | 1H-Benzimidazole, 1-[6-(4-nitrophenoxy)hexyl]-
CAS No: 88138-70-9 Catalog No: AG004F2R MDL No:
Product Description
Catalog Number:
AG004F2R
Chemical Name:
1H-Benzimidazole, 1-[6-(4-nitrophenoxy)hexyl]-
CAS Number:
88138-70-9
Molecular Formula:
C19H21N3O3
Molecular Weight:
339.3883
IUPAC Name:
1-[6-(4-nitrophenoxy)hexyl]benzimidazole
InChI:
InChI=1S/C19H21N3O3/c23-22(24)16-9-11-17(12-10-16)25-14-6-2-1-5-13-21-15-20-18-7-3-4-8-19(18)21/h3-4,7-12,15H,1-2,5-6,13-14H2
InChI Key:
MUHJTBGKIMKQBW-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1ccc(cc1)OCCCCCCn1cnc2c1cccc2
Properties
Complexity:
407
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
339.158g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
339.395g/mol
Monoisotopic Mass:
339.158g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
72.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.3
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