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83049-04-1 | 2-(Ethyl(4-((2-methoxy-4-nitrophenyl)azo)phenyl)amino)ethyl acetate
CAS No: 83049-04-1 Catalog No: AG005C8M MDL No:
Product Description
Catalog Number:
AG005C8M
Chemical Name:
2-(Ethyl(4-((2-methoxy-4-nitrophenyl)azo)phenyl)amino)ethyl acetate
CAS Number:
83049-04-1
Molecular Formula:
C19H22N4O5
Molecular Weight:
386.4018
IUPAC Name:
2-[N-ethyl-4-[(2-methoxy-4-nitrophenyl)diazenyl]anilino]ethyl acetate
InChI:
InChI=1S/C19H22N4O5/c1-4-22(11-12-28-14(2)24)16-7-5-15(6-8-16)20-21-18-10-9-17(23(25)26)13-19(18)27-3/h5-10,13H,4,11-12H2,1-3H3
InChI Key:
JQLUGSHCBLKZEY-UHFFFAOYSA-N
SMILES:
CCN(c1ccc(cc1)N=Nc1ccc(cc1OC)[N+](=O)[O-])CCOC(=O)C
EC Number:
280-187-5
Properties
Complexity:
531
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
386.159g/mol
Formal Charge:
0
Heavy Atom Count:
28
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
386.408g/mol
Monoisotopic Mass:
386.159g/mol
Rotatable Bond Count:
9
Topological Polar Surface Area:
109A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.9
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