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81711-69-5 | Benzenamine,4-[2-(2-chloro-4,6-dinitrophenyl)diazenyl]-N,N-diethyl-2,5-dimethoxy-
CAS No: 81711-69-5 Catalog No: AG005J0J MDL No:
Product Description
Catalog Number:
AG005J0J
Chemical Name:
Benzenamine,4-[2-(2-chloro-4,6-dinitrophenyl)diazenyl]-N,N-diethyl-2,5-dimethoxy-
CAS Number:
81711-69-5
Molecular Formula:
C18H20ClN5O6
Molecular Weight:
437.8343
IUPAC Name:
4-[(2-chloro-4,6-dinitrophenyl)diazenyl]-N,N-diethyl-2,5-dimethoxyaniline
InChI:
InChI=1S/C18H20ClN5O6/c1-5-22(6-2)14-10-16(29-3)13(9-17(14)30-4)20-21-18-12(19)7-11(23(25)26)8-15(18)24(27)28/h7-10H,5-6H2,1-4H3
InChI Key:
KEMVMBHOGQWFSN-UHFFFAOYSA-N
SMILES:
COc1cc(N(CC)CC)c(cc1N=Nc1c(Cl)cc(cc1[N+](=O)[O-])[N+](=O)[O-])OC
EC Number:
279-800-9
Properties
Complexity:
611
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
437.11g/mol
Formal Charge:
0
Heavy Atom Count:
30
Hydrogen Bond Acceptor Count:
9
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
437.837g/mol
Monoisotopic Mass:
437.11g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
138A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.8
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