Cas no 54739-09-2 (Benzene, 1-[(1-methylheptyl)oxy]-4-nitro-)
![Benzene, 1-[(1-methylheptyl)oxy]-4-nitro- structure](https://ossimg.kuujia.com/scimg/55000/54739-09-2x500.png)
54739-09-2 structure
Product Name:Benzene, 1-[(1-methylheptyl)oxy]-4-nitro-
CAS No:54739-09-2
MF:C14H21NO3
MW:251.321444272995
CID:353808
PubChem ID:14067706
Update Time:2025-04-19
Benzene, 1-[(1-methylheptyl)oxy]-4-nitro- Chemical and Physical Properties
Names and Identifiers
-
- Benzene, 1-[(1-methylheptyl)oxy]-4-nitro-
- 1-nitro-4-octan-2-yloxybenzene
- DTXSID50555333
- 1-Nitro-4-[(octan-2-yl)oxy]benzene
- 54739-09-2
-
- Inchi： 1S/C14H21NO3/c1-3-4-5-6-7-12(2)18-14-10-8-13(9-11-14)15(16)17/h8-12H,3-7H2,1-2H3
- InChI Key： VYTCUSAAQNVLAJ-UHFFFAOYSA-N
- SMILES： O(C1C=CC(=CC=1)[N+](=O)[O-])C(C)CCCCCC
Computed Properties
- Exact Mass: 251.15223
- Monoisotopic Mass: 251.15214353g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 18
- Rotatable Bond Count: 7
- Complexity: 232
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 1
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 5.3
- Topological Polar Surface Area: 55?2
Experimental Properties
- PSA: 52.37
Benzene, 1-[(1-methylheptyl)oxy]-4-nitro- Related Literature
-
Ana G. Neo,Ana Bornadiego,Jesús Díaz,Stefano Marcaccini,Carlos F. Marcos Org. Biomol. Chem., 2013,11, 6546-6555
-
Shaun D. Wong,Edward I. Solomon Dalton Trans., 2014,43, 17567-17577
-
Saeideh Mirfakhraei,Malak Hekmati,Fereshteh Hosseini Eshbala,Hojat Veisi New J. Chem., 2018,42, 1757-1761
54739-09-2 (Benzene, 1-[(1-methylheptyl)oxy]-4-nitro-) Related Products
- 7244-78-2(1-Butoxy-4-nitrobenzene)
- 102703-33-3(p-Hexadecyloxynitrobenzene)
- 13565-36-1(1-Heptyloxy-4-nitrobenzene)
- 65039-18-1(1-Dodecyloxy-4-nitrobenzene)
- 63469-11-4(p-Pentyloxynitrobenzene)
- 123974-61-8(p-Nitrophenyl Octadecyl Ether)
- 15440-98-9(4-N-Hexyloxynitrobenzene)
- 49562-76-7(4-Nitrophenyl Octyl Ether)
- 31657-37-1(Benzene,1-(decyloxy)-4-nitro-)
- 26455-31-2(1-Isopropoxy-4-nitrobenzene)
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