Cas no 816463-60-2 (Benzene, 1,2-dinitro-4,5-bis(undecyloxy)-)
816463-60-2 structure
Product Name:Benzene, 1,2-dinitro-4,5-bis(undecyloxy)-
CAS No:816463-60-2
MF:C28H48N2O6
MW:508.690528869629
CID:703471
PubChem ID:71420891
Update Time:2025-04-19
Benzene, 1,2-dinitro-4,5-bis(undecyloxy)- Chemical and Physical Properties
Names and Identifiers
-
- Benzene, 1,2-dinitro-4,5-bis(undecyloxy)-
- 1,2-dinitro-4,5-di(undecoxy)benzene
- 816463-60-2
- 1,2-DINITRO-4,5-BIS(UNDECYLOXY)BENZENE
- DTXSID80840067
-
- Inchi： 1S/C28H48N2O6/c1-3-5-7-9-11-13-15-17-19-21-35-27-23-25(29(31)32)26(30(33)34)24-28(27)36-22-20-18-16-14-12-10-8-6-4-2/h23-24H,3-22H2,1-2H3
- InChI Key： ILKQUTYTLHUGRV-UHFFFAOYSA-N
- SMILES： O(C1C=C(C(=CC=1OCCCCCCCCCCC)[N+](=O)[O-])[N+](=O)[O-])CCCCCCCCCCC
Computed Properties
- Exact Mass: 508.35123726g/mol
- Monoisotopic Mass: 508.35123726g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 6
- Heavy Atom Count: 36
- Rotatable Bond Count: 22
- Complexity: 503
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 11.6
- Topological Polar Surface Area: 110?2
Benzene, 1,2-dinitro-4,5-bis(undecyloxy)- Related Literature
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J. Zagora,M. Vosla?,L. Schreiberová,I. Schreiber Phys. Chem. Chem. Phys., 2002,4, 1284-1291
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Helga Garcia,Rui Ferreira,Marija Petkovic,Jamie L. Ferguson,Maria C. Leit?o,H. Q. Nimal Gunaratne,Luís Paulo N. Rebelo Green Chem., 2010,12, 367-369
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Kay S. McMillan,Anthony G. McCluskey,Annette Sorensen,Marie Boyd,Michele Zagnoni Analyst, 2016,141, 100-110
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