Cas no 868071-51-6 (Benzene, 2-nitro-1,3-bis(octyloxy)-)
868071-51-6 structure
Product Name:Benzene, 2-nitro-1,3-bis(octyloxy)-
CAS No:868071-51-6
MF:C22H37NO4
MW:379.533487081528
CID:582528
PubChem ID:537243
Update Time:2025-04-19
Benzene, 2-nitro-1,3-bis(octyloxy)- Chemical and Physical Properties
Names and Identifiers
-
- Benzene, 2-nitro-1,3-bis(octyloxy)-
- 2-nitro-1,3-dioctoxybenzene
- 2-Nitro-1,3-bis-octyloxy-benzene
- OFEWSXHPFIDSDF-UHFFFAOYSA-N
- DTXSID80336915
- 868071-51-6
-
- Inchi： 1S/C22H37NO4/c1-3-5-7-9-11-13-18-26-20-16-15-17-21(22(20)23(24)25)27-19-14-12-10-8-6-4-2/h15-17H,3-14,18-19H2,1-2H3
- InChI Key： OFEWSXHPFIDSDF-UHFFFAOYSA-N
- SMILES： O(C1C=CC=C(C=1[N+](=O)[O-])OCCCCCCCC)CCCCCCCC
Computed Properties
- Exact Mass: 379.27225866g/mol
- Monoisotopic Mass: 379.27225866g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 27
- Rotatable Bond Count: 16
- Complexity: 333
- 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: 8.5
- Topological Polar Surface Area: 64.3?2
Benzene, 2-nitro-1,3-bis(octyloxy)- Related Literature
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Dhirendra K. Chaudhary,Pramendra Kumar,Lokendra Kumar RSC Adv., 2016,6, 94731-94738
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Vishwesh Venkatraman,Marco Foscato,Vidar R. Jensen,Bj?rn K?re Alsberg J. Mater. Chem. A, 2015,3, 9851-9860
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Yiding Jiao,Liqun Kang,Jasper Berry-Gair,Kit McColl,Jianwei Li,Haobo Dong,Hao Jiang,Ryan Wang,Furio Corà,Dan J. L. Brett,Ivan P. Parkin J. Mater. Chem. A, 2020,8, 22075-22082
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Hongxia Li,Aikifa Raza,Qiaoyu Ge,Jin-You Lu,TieJun Zhang Soft Matter, 2020,16, 6841-6849
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Partha Laskar,Christine Dufès Nanoscale Adv., 2021,3, 6007-6026
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