Cas no 86453-93-2 (Benzene, 1-(dibutoxymethyl)-3-nitro-)
86453-93-2 structure
Product Name:Benzene, 1-(dibutoxymethyl)-3-nitro-
CAS No:86453-93-2
MF:C15H23NO4
MW:281.34742474556
CID:661659
PubChem ID:14244627
Update Time:2025-04-19
Benzene, 1-(dibutoxymethyl)-3-nitro- Chemical and Physical Properties
Names and Identifiers
-
- Benzene, 1-(dibutoxymethyl)-3-nitro-
- 1-(dibutoxymethyl)-3-nitrobenzene
- 86453-93-2
- DTXSID10557898
-
- Inchi： 1S/C15H23NO4/c1-3-5-10-19-15(20-11-6-4-2)13-8-7-9-14(12-13)16(17)18/h7-9,12,15H,3-6,10-11H2,1-2H3
- InChI Key： CTFLQPOPGZXGRR-UHFFFAOYSA-N
- SMILES： O(CCCC)C(C1C=CC=C(C=1)[N+](=O)[O-])OCCCC
Computed Properties
- Exact Mass: 281.16270821g/mol
- Monoisotopic Mass: 281.16270821g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 20
- Rotatable Bond Count: 9
- Complexity: 257
- 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: 3.9
- Topological Polar Surface Area: 64.3?2
Benzene, 1-(dibutoxymethyl)-3-nitro- Related Literature
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Juan J. Sánchez,Miguel López-Haro,Juan C. Hernández-Garrido,Ginesa Blanco,Miguel A. Cauqui,José M. Rodríguez-Izquierdo,José A. Pérez-Omil,José J. Calvino,María P. Yeste J. Mater. Chem. A, 2019,7, 8993-9003
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Yang Chen,Di Zhou,Zheyi Meng,Jin Zhai Chem. Commun., 2016,52, 10020-10023
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Kui Wu,Zhihua Yang,Shilie Pan Dalton Trans., 2015,44, 19856-19864
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Wenjie Zhao,Hua Hou,Yuchun Jin,Zhixiang Zeng,Xuedong Wu,Qunji Xue RSC Adv., 2014,4, 60307-60315
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Quan Xiang,Yiqin Chen,Zhiqin Li,Kaixi Bi,Guanhua Zhang,Huigao Duan Nanoscale, 2016,8, 19541-19550
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