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Home > Nitro Compounds > 853913-08-3
853913-08-3 | Benzene, 1,1',1''-methylidynetris[4-(4-nitrophenoxy)-
CAS No: 853913-08-3 Catalog No: AG004KQH MDL No:
Product Description
Catalog Number:
AG004KQH
Chemical Name:
Benzene, 1,1',1''-methylidynetris[4-(4-nitrophenoxy)-
CAS Number:
853913-08-3
Molecular Formula:
C37H25N3O9
Molecular Weight:
655.6091
IUPAC Name:
1-[bis[4-(4-nitrophenoxy)phenyl]methyl]-4-(4-nitrophenoxy)benzene
InChI:
InChI=1S/C37H25N3O9/c41-38(42)28-7-19-34(20-8-28)47-31-13-1-25(2-14-31)37(26-3-15-32(16-4-26)48-35-21-9-29(10-22-35)39(43)44)27-5-17-33(18-6-27)49-36-23-11-30(12-24-36)40(45)46/h1-24,37H
InChI Key:
UPSPTTRNBAPBHQ-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1ccc(cc1)Oc1ccc(cc1)C(c1ccc(cc1)Oc1ccc(cc1)[N+](=O)[O-])c1ccc(cc1)Oc1ccc(cc1)[N+](=O)[O-]
Properties
Complexity:
913
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
655.159g/mol
Formal Charge:
0
Heavy Atom Count:
49
Hydrogen Bond Acceptor Count:
9
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
655.619g/mol
Monoisotopic Mass:
655.159g/mol
Rotatable Bond Count:
9
Topological Polar Surface Area:
165A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
9.4
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