Cas no 61718-35-2 (Ethanone, 1-(2-butyl-4-nitrophenyl)-)
61718-35-2 structure
Product Name:Ethanone, 1-(2-butyl-4-nitrophenyl)-
CAS No:61718-35-2
MF:C12H15NO3
MW:221.252403497696
CID:468574
PubChem ID:71392921
Update Time:2025-04-19
Ethanone, 1-(2-butyl-4-nitrophenyl)- Chemical and Physical Properties
Names and Identifiers
-
- Ethanone, 1-(2-butyl-4-nitrophenyl)-
- 1-(2-butyl-4-nitrophenyl)ethanone
- DTXSID40814709
- 1-(2-Butyl-4-nitrophenyl)ethan-1-one
- 61718-35-2
-
- Inchi： 1S/C12H15NO3/c1-3-4-5-10-8-11(13(15)16)6-7-12(10)9(2)14/h6-8H,3-5H2,1-2H3
- InChI Key： SACBMMPSBQCVAK-UHFFFAOYSA-N
- SMILES： O=C(C)C1C=CC(=CC=1CCCC)[N+](=O)[O-]
Computed Properties
- Exact Mass: 221.10525
- Monoisotopic Mass: 221.10519334g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 16
- Rotatable Bond Count: 4
- Complexity: 260
- 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: 3.3
- Topological Polar Surface Area: 62.9?2
Experimental Properties
- PSA: 60.21
Ethanone, 1-(2-butyl-4-nitrophenyl)- Related Literature
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Ana G. Neo,Ana Bornadiego,Jesús Díaz,Stefano Marcaccini,Carlos F. Marcos Org. Biomol. Chem., 2013,11, 6546-6555
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Norihito Fukui,Keisuke Fujimoto,Hideki Yorimitsu,Atsuhiro Osuka Dalton Trans., 2017,46, 13322-13341
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Dhirendra K. Chaudhary,Pramendra Kumar,Lokendra Kumar RSC Adv., 2016,6, 94731-94738
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Christopher J. Harrison,Kyle J. Berean,Enrico Della Gaspera,Jian Zhen Ou,Richard B. Kaner,Kourosh Kalantar-zadeh,Torben Daeneke Nanoscale, 2016,8, 16276-16283
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Yaling Zhang,Chunhui Dai,Shiwei Zhou,Bin Liu Chem. Commun., 2018,54, 10092-10095
61718-35-2 (Ethanone, 1-(2-butyl-4-nitrophenyl)-) Related Products
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