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433219-44-4 | 1-{[3-Ethyl-2-(4-nitrophenyl)imidazolidin-1-yl]methyl}-1H-1,2,3-benzotriazole
CAS No: 433219-44-4 Catalog No: AG01EVXT MDL No:
Product Description
Catalog Number:
AG01EVXT
Chemical Name:
1-{[3-Ethyl-2-(4-nitrophenyl)imidazolidin-1-yl]methyl}-1H-1,2,3-benzotriazole
CAS Number:
433219-44-4
Molecular Formula:
C18H20N6O2
Molecular Weight:
352.3904
IUPAC Name:
1-[[3-ethyl-2-(4-nitrophenyl)imidazolidin-1-yl]methyl]benzotriazole
InChI:
InChI=1S/C18H20N6O2/c1-2-21-11-12-22(13-23-17-6-4-3-5-16(17)19-20-23)18(21)14-7-9-15(10-8-14)24(25)26/h3-10,18H,2,11-13H2,1H3
InChI Key:
VVJQHWQANUYNNR-UHFFFAOYSA-N
SMILES:
CCN1CCN(C1c1ccc(cc1)[N+](=O)[O-])Cn1nnc2c1cccc2
Properties
Complexity:
493
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
352.165g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
352.398g/mol
Monoisotopic Mass:
352.165g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
83A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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