Cas no 827340-49-8 (1,1'-Biphenyl, 3,3'-dinitro-4,4'-bis(propoxymethyl)-)
827340-49-8 structure
Product Name:1,1'-Biphenyl, 3,3'-dinitro-4,4'-bis(propoxymethyl)-
CAS No:827340-49-8
MF:C20H24N2O6
MW:388.414365768433
CID:684443
PubChem ID:71417486
Update Time:2025-04-19
1,1'-Biphenyl, 3,3'-dinitro-4,4'-bis(propoxymethyl)- Chemical and Physical Properties
Names and Identifiers
-
- 1,1'-Biphenyl, 3,3'-dinitro-4,4'-bis(propoxymethyl)-
- 2-nitro-4-[3-nitro-4-(propoxymethyl)phenyl]-1-(propoxymethyl)benzene
- 3,3'-DINITRO-4,4'-BIS(PROPOXYMETHYL)-1,1'-BIPHENYL
- 827340-49-8
- DTXSID60836822
-
- Inchi： 1S/C20H24N2O6/c1-3-9-27-13-17-7-5-15(11-19(17)21(23)24)16-6-8-18(14-28-10-4-2)20(12-16)22(25)26/h5-8,11-12H,3-4,9-10,13-14H2,1-2H3
- InChI Key： IRPTWVCAQNTGOF-UHFFFAOYSA-N
- SMILES： O(CCC)CC1C=CC(=CC=1[N+](=O)[O-])C1C=CC(COCCC)=C(C=1)[N+](=O)[O-]
Computed Properties
- Exact Mass: 388.16343649g/mol
- Monoisotopic Mass: 388.16343649g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 6
- Heavy Atom Count: 28
- Rotatable Bond Count: 9
- Complexity: 448
- 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: 4.3
- Topological Polar Surface Area: 110?2
1,1'-Biphenyl, 3,3'-dinitro-4,4'-bis(propoxymethyl)- Related Literature
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Xu Jie,Deng Xu,Weili Wei RSC Adv., 2019,9, 29149-29153
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Xingqun Zheng,Lele Song,Xin Feng,Li Li,Zidong Wei J. Mater. Chem. A, 2020,8, 14145-14151
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Saeideh Mirfakhraei,Malak Hekmati,Fereshteh Hosseini Eshbala,Hojat Veisi New J. Chem., 2018,42, 1757-1761
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J. Zagora,M. Vosla?,L. Schreiberová,I. Schreiber Phys. Chem. Chem. Phys., 2002,4, 1284-1291
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Martin R. Ward,Gary W. Copeland,Andrew J. Alexander Chem. Commun., 2010,46, 7634-7636
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