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Home > Imidazoles > 84138-40-9
84138-40-9 | 1-(MORPHOLIN-4-YLMETHYL)-2-[(4-NITROPHENOXY)METHYL]BENZOIMIDAZOLE
CAS No: 84138-40-9 Catalog No: AG008GX2 MDL No:
Product Description
Catalog Number:
AG008GX2
Chemical Name:
1-(MORPHOLIN-4-YLMETHYL)-2-[(4-NITROPHENOXY)METHYL]BENZOIMIDAZOLE
CAS Number:
84138-40-9
Molecular Formula:
C19H20N4O4
Molecular Weight:
368.3865
IUPAC Name:
4-[[2-[(4-nitrophenoxy)methyl]benzimidazol-1-yl]methyl]morpholine
InChI:
InChI=1S/C19H20N4O4/c24-23(25)15-5-7-16(8-6-15)27-13-19-20-17-3-1-2-4-18(17)22(19)14-21-9-11-26-12-10-21/h1-8H,9-14H2
InChI Key:
ANYYCJPPBIYHKU-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1ccc(cc1)OCc1nc2c(n1CN1CCOCC1)cccc2
Properties
Complexity:
489
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
368.148g/mol
Formal Charge:
0
Heavy Atom Count:
27
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
368.393g/mol
Monoisotopic Mass:
368.148g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
85.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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