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Home > Nitro Compounds > 81238-57-5
81238-57-5 | 15-Crown-4 [4-(2,4-Dinitrophenylazo)phenol] , 98%
CAS No: 81238-57-5 Catalog No: AG003DVF MDL No:
Product Description
Catalog Number:
AG003DVF
Chemical Name:
15-Crown-4 [4-(2,4-Dinitrophenylazo)phenol] , 98%
CAS Number:
81238-57-5
IUPAC Name:
16-[(2,4-dinitrophenyl)diazenyl]-3,6,9,12-tetraoxabicyclo[12.3.1]octadeca-1(17),14(18),15-trien-18-ol
InChI:
InChI=1S/C20H22N4O9/c25-20-14-9-16(21-22-18-2-1-17(23(26)27)11-19(18)24(28)29)10-15(20)13-33-8-6-31-4-3-30-5-7-32-12-14/h1-2,9-11,25H,3-8,12-13H2
InChI Key:
GUJVZRJZTRYCCS-UHFFFAOYSA-N
Properties
Complexity:
632
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
462.139g/mol
Formal Charge:
0
Heavy Atom Count:
33
Hydrogen Bond Acceptor Count:
11
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
462.415g/mol
Monoisotopic Mass:
462.139g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
174A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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