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Home > Nitro Compounds > 81238-58-6
81238-58-6 | 18-Crown-5 [4-(2,4-Dinitrophenylazo)phenol] ,
CAS No: 81238-58-6 Catalog No: AG003DVU MDL No:
Product Description
Catalog Number:
AG003DVU
Chemical Name:
18-Crown-5 [4-(2,4-Dinitrophenylazo)phenol] ,
CAS Number:
81238-58-6
IUPAC Name:
19-[(2,4-dinitrophenyl)diazenyl]-3,6,9,12,15-pentaoxabicyclo[15.3.1]henicosa-1(20),17(21),18-trien-21-ol
InChI:
InChI=1S/C22H26N4O10/c27-22-16-11-18(23-24-20-2-1-19(25(28)29)13-21(20)26(30)31)12-17(22)15-36-10-8-34-6-4-32-3-5-33-7-9-35-14-16/h1-2,11-13,27H,3-10,14-15H2
InChI Key:
QWXPMOXJXQUNKI-UHFFFAOYSA-N
Properties
Complexity:
677
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
506.165g/mol
Formal Charge:
0
Heavy Atom Count:
36
Hydrogen Bond Acceptor Count:
12
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
506.468g/mol
Monoisotopic Mass:
506.165g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
183A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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