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75199-19-8 | Acetamide,N-[5-[[2-(acetyloxy)ethyl](2-hydroxyethyl)amino]-2-[2-(2-bromo-4,6-dinitrophenyl)diazenyl]-4-ethoxyphenyl]-
CAS No: 75199-19-8 Catalog No: AG005CVZ MDL No:
Product Description
Catalog Number:
AG005CVZ
Chemical Name:
Acetamide,N-[5-[[2-(acetyloxy)ethyl](2-hydroxyethyl)amino]-2-[2-(2-bromo-4,6-dinitrophenyl)diazenyl]-4-ethoxyphenyl]-
CAS Number:
75199-19-8
Molecular Formula:
C22H25BrN6O9
Molecular Weight:
597.3727
IUPAC Name:
2-[5-acetamido-4-[(2-bromo-4,6-dinitrophenyl)diazenyl]-2-ethoxy-N-(2-hydroxyethyl)anilino]ethyl acetate
InChI:
InChI=1S/C22H25BrN6O9/c1-4-37-21-12-18(25-26-22-16(23)9-15(28(33)34)10-20(22)29(35)36)17(24-13(2)31)11-19(21)27(5-7-30)6-8-38-14(3)32/h9-12,30H,4-8H2,1-3H3,(H,24,31)
InChI Key:
ZWJGCRVWLUKGGM-UHFFFAOYSA-N
SMILES:
OCCN(c1cc(NC(=O)C)c(cc1OCC)N=Nc1c(Br)cc(cc1[N+](=O)[O-])[N+](=O)[O-])CCOC(=O)C
EC Number:
278-118-9
Properties
Complexity:
854
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
596.087g/mol
Formal Charge:
0
Heavy Atom Count:
38
Hydrogen Bond Acceptor Count:
12
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
597.379g/mol
Monoisotopic Mass:
596.087g/mol
Rotatable Bond Count:
12
Topological Polar Surface Area:
205A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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