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Home > Imidazoles > 141951-87-3
141951-87-3 | Phenol, 2-(1,3-diphenyl-2-imidazolidinyl)-4-nitro-
CAS No: 141951-87-3 Catalog No: AG007KFE MDL No:
Product Description
Catalog Number:
AG007KFE
Chemical Name:
Phenol, 2-(1,3-diphenyl-2-imidazolidinyl)-4-nitro-
CAS Number:
141951-87-3
Molecular Formula:
C21H19N3O3
Molecular Weight:
361.3939
IUPAC Name:
2-(1,3-diphenylimidazolidin-2-yl)-4-nitrophenol
InChI:
InChI=1S/C21H19N3O3/c25-20-12-11-18(24(26)27)15-19(20)21-22(16-7-3-1-4-8-16)13-14-23(21)17-9-5-2-6-10-17/h1-12,15,21,25H,13-14H2
InChI Key:
HZBXMIHYLIPDSH-UHFFFAOYSA-N
SMILES:
Oc1ccc(cc1C1N(CCN1c1ccccc1)c1ccccc1)[N+](=O)[O-]
Properties
Complexity:
473
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
361.143g/mol
Formal Charge:
0
Heavy Atom Count:
27
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
361.401g/mol
Monoisotopic Mass:
361.143g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
72.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.7
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