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Home > Nitro Compounds > 102852-91-5
102852-91-5 | 1,3,5-Tris(4-nitrophenoxy)benzene
CAS No: 102852-91-5 Catalog No: AG01E62J MDL No:MFCD00613483
Product Description
Catalog Number:
AG01E62J
Chemical Name:
1,3,5-Tris(4-nitrophenoxy)benzene
CAS Number:
102852-91-5
Molecular Formula:
C24H15N3O9
Molecular Weight:
489.3906
MDL Number:
MFCD00613483
IUPAC Name:
1,3,5-tris(4-nitrophenoxy)benzene
InChI:
InChI=1S/C24H15N3O9/c28-25(29)16-1-7-19(8-2-16)34-22-13-23(35-20-9-3-17(4-10-20)26(30)31)15-24(14-22)36-21-11-5-18(6-12-21)27(32)33/h1-15H
InChI Key:
DXYUVOVIDRJKFE-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1ccc(cc1)Oc1cc(cc(c1)Oc1ccc(cc1)[N+](=O)[O-])Oc1ccc(cc1)[N+](=O)[O-]
Properties
Complexity:
632
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
489.081g/mol
Formal Charge:
0
Heavy Atom Count:
36
Hydrogen Bond Acceptor Count:
9
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
489.396g/mol
Monoisotopic Mass:
489.081g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
165A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
6
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