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89157-21-1 | 2H-Benzimidazol-2-one, 5-[[4-(diethylamino)phenyl]azo]-1,3-dihydro-
CAS No: 89157-21-1 Catalog No: AG003WOT MDL No:
Product Description
Catalog Number:
AG003WOT
Chemical Name:
2H-Benzimidazol-2-one, 5-[[4-(diethylamino)phenyl]azo]-1,3-dihydro-
CAS Number:
89157-21-1
Molecular Formula:
C17H19N5O
Molecular Weight:
309.3657
IUPAC Name:
5-[[4-(diethylamino)phenyl]diazenyl]-1,3-dihydrobenzimidazol-2-one
InChI:
InChI=1S/C17H19N5O/c1-3-22(4-2)14-8-5-12(6-9-14)20-21-13-7-10-15-16(11-13)19-17(23)18-15/h5-11H,3-4H2,1-2H3,(H2,18,19,23)
InChI Key:
BRAFLQXCUKUADG-UHFFFAOYSA-N
SMILES:
CCN(c1ccc(cc1)N=Nc1ccc2c(c1)[nH]c(=O)[nH]2)CC
Properties
Complexity:
429
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
309.159g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
309.373g/mol
Monoisotopic Mass:
309.159g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
69.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2
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