Cas no 54495-62-4 (Benzene, 1-(3-methylphenoxy)-2-nitro-)
54495-62-4 structure
Product Name:Benzene, 1-(3-methylphenoxy)-2-nitro-
CAS No:54495-62-4
MF:C13H11NO3
MW:229.231343507767
CID:1589518
PubChem ID:12060792
Update Time:2025-04-21
Benzene, 1-(3-methylphenoxy)-2-nitro- Chemical and Physical Properties
Names and Identifiers
-
- Benzene, 1-(3-methylphenoxy)-2-nitro-
- HS-4168
- SCHEMBL7997064
- CHEMBL2270126
- 54495-62-4
- 1-(3-methylphenoxy)-2-nitrobenzene
-
- Inchi： 1S/C13H11NO3/c1-10-5-4-6-11(9-10)17-13-8-3-2-7-12(13)14(15)16/h2-9H,1H3
- InChI Key： WOAVWBGOVFKQMD-UHFFFAOYSA-N
- SMILES： O(C1C=CC=CC=1[N+](=O)[O-])C1=CC=CC(C)=C1
Computed Properties
- Exact Mass: 229.07393
- Monoisotopic Mass: 229.07389321g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 17
- Rotatable Bond Count: 2
- Complexity: 264
- 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: 3.6
- Topological Polar Surface Area: 55?2
Experimental Properties
- PSA: 52.37
Benzene, 1-(3-methylphenoxy)-2-nitro- Related Literature
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1. Fe3O4/Au/Fe3O4 nanoflowers exhibiting tunable saturation magnetization and enhanced bioconjugationFeng Shi,Kunping Yan,Mingli Peng,Xiao Cheng,Yanling Luo,Xuemei Chen,V. A. L. Roy,Zuankai Wang Nanoscale, 2012,4, 747-751
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Dan Yang,Yanping Zhou,Xianhong Rui,Jixin Zhu,Ziyang Lu,Eileen Fong,Qingyu Yan RSC Adv., 2013,3, 14960-14962
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Jason Y. C. Lim,Yong Yu,Guorui Jin,Kai Li,Yi Lu,Jianping Xie Nanoscale Adv., 2020,2, 3921-3932
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Guang Xu,Wei Zhang,Ying Zhang,Xiaoxia Zhao,Ping Wen,Di Ma RSC Adv., 2018,8, 19353-19361
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Nan Fu,Naphaporn Chiewchan,Xiao Dong Chen Food Funct., 2020,11, 211-220
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