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Home > Nitro Compounds > 81105-60-4
81105-60-4 | Benzene, 1,4-bis(2,4,6-trinitrophenoxy)-
CAS No: 81105-60-4 Catalog No: AG005GE2 MDL No:
Product Description
Catalog Number:
AG005GE2
Chemical Name:
Benzene, 1,4-bis(2,4,6-trinitrophenoxy)-
CAS Number:
81105-60-4
Molecular Formula:
C18H8N6O14
Molecular Weight:
532.2879
IUPAC Name:
1,3,5-trinitro-2-[4-(2,4,6-trinitrophenoxy)phenoxy]benzene
InChI:
InChI=1S/C18H8N6O14/c25-19(26)9-5-13(21(29)30)17(14(6-9)22(31)32)37-11-1-2-12(4-3-11)38-18-15(23(33)34)7-10(20(27)28)8-16(18)24(35)36/h1-8H
InChI Key:
HECAAPVGHZSSGH-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1cc(cc(c1Oc1ccc(cc1)Oc1c(cc(cc1[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-]
Properties
Complexity:
816
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
532.01g/mol
Formal Charge:
0
Heavy Atom Count:
38
Hydrogen Bond Acceptor Count:
14
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
532.29g/mol
Monoisotopic Mass:
532.01g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
293A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4
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