Cas no 54397-20-5 (1-[(chloromethoxy)methyl]-3-nitrobenzene)
![1-[(chloromethoxy)methyl]-3-nitrobenzene structure](https://ossimg.kuujia.com/scimg/54500/54397-20-5x500.png)
54397-20-5 structure
Product Name:1-[(chloromethoxy)methyl]-3-nitrobenzene
CAS No:54397-20-5
MF:C8H8ClNO3
MW:201.607021331787
CID:1588713
PubChem ID:96644
Update Time:2025-04-21
1-[(chloromethoxy)methyl]-3-nitrobenzene Chemical and Physical Properties
Names and Identifiers
-
- 1-[(chloromethoxy)methyl]-3-nitrobenzene
- Benzene, 1-((chloromethoxy)methyl)-3-nitro-
- benzene, 1-[(chloromethoxy)methyl]-3-nitro-
- Chloromethyl 3-nitrobenzyl ether
- 1-(chloromethoxymethyl)-3-nitrobenzene
- SCHEMBL11503161
- NSC-83566
- m-Nitrobenzyloxymethyl chloride
- DTXSID4068953
- NSC 83566
- 54397-20-5
- UNII-B7J5X6HLS3
- B7J5X6HLS3
- YNEGTYXPKSYRQH-UHFFFAOYSA-N
- Chloromethyl m-nitrobenzyl ether
- 1-[(Chloromethoxy)methyl ]-3-nitrobenzene
- NSC83566
- DB-354265
-
- Inchi： 1S/C8H8ClNO3/c9-6-13-5-7-2-1-3-8(4-7)10(11)12/h1-4H,5-6H2
- InChI Key： YNEGTYXPKSYRQH-UHFFFAOYSA-N
- SMILES： ClCOCC1C=CC=C(C=1)[N+](=O)[O-]
Computed Properties
- Exact Mass: 201.01934
- Monoisotopic Mass: 201.0192708g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 13
- Rotatable Bond Count: 3
- Complexity: 171
- 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: 2.4
- Topological Polar Surface Area: 55?2
Experimental Properties
- PSA: 52.37
1-[(chloromethoxy)methyl]-3-nitrobenzene Related Literature
-
Jing Yu,Yu-Qi Lyu,Jiapeng Liu,Mohammed B. Effat,Junxiong Wu J. Mater. Chem. A, 2019,7, 17995-18002
-
Marcin Czapla,Jack Simons Phys. Chem. Chem. Phys., 2018,20, 21739-21745
-
Yukiya Kitayama Polym. Chem., 2014,5, 2784-2792
-
Ji-Ping Wei Nanoscale, 2015,7, 11815-11832
-
Xingqun Zheng,Lele Song,Xin Feng,Li Li,Zidong Wei J. Mater. Chem. A, 2020,8, 14145-14151
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