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Home > Nitro Compounds > 160510-06-5
160510-06-5 | Benzene, 1,1',1''-ethylidynetris[4-(4-nitrophenoxy)-
CAS No: 160510-06-5 Catalog No: AG001RZF MDL No:
Product Description
Catalog Number:
AG001RZF
Chemical Name:
Benzene, 1,1',1''-ethylidynetris[4-(4-nitrophenoxy)-
CAS Number:
160510-06-5
Molecular Formula:
C38H27N3O9
Molecular Weight:
669.6357
IUPAC Name:
1-[1,1-bis[4-(4-nitrophenoxy)phenyl]ethyl]-4-(4-nitrophenoxy)benzene
InChI:
InChI=1S/C38H27N3O9/c1-38(26-2-14-32(15-3-26)48-35-20-8-29(9-21-35)39(42)43,27-4-16-33(17-5-27)49-36-22-10-30(11-23-36)40(44)45)28-6-18-34(19-7-28)50-37-24-12-31(13-25-37)41(46)47/h2-25H,1H3
InChI Key:
BAQXHJUKMYAFMT-UHFFFAOYSA-N
SMILES:
CC(c1ccc(cc1)Oc1ccc(cc1)[N+](=O)[O-])(c1ccc(cc1)Oc1ccc(cc1)[N+](=O)[O-])c1ccc(cc1)Oc1ccc(cc1)[N+](=O)[O-]
Properties
Complexity:
956
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
669.175g/mol
Formal Charge:
0
Heavy Atom Count:
50
Hydrogen Bond Acceptor Count:
9
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
669.646g/mol
Monoisotopic Mass:
669.175g/mol
Rotatable Bond Count:
9
Topological Polar Surface Area:
165A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
9.9
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