Cas no 61588-36-1 (Benzene, 2-chloro-4-(methoxymethoxy)-1-nitro-)
61588-36-1 structure
Product Name:Benzene, 2-chloro-4-(methoxymethoxy)-1-nitro-
CAS No:61588-36-1
MF:C8H8ClNO4
MW:217.606421470642
CID:473818
PubChem ID:12321147
Update Time:2025-04-19
Benzene, 2-chloro-4-(methoxymethoxy)-1-nitro- Chemical and Physical Properties
Names and Identifiers
-
- Benzene, 2-chloro-4-(methoxymethoxy)-1-nitro-
- 2-chloro-4-(methoxymethoxy)-1-nitrobenzene
- 61588-36-1
- AKOS018841763
- DTXSID10488572
-
- Inchi： 1S/C8H8ClNO4/c1-13-5-14-6-2-3-8(10(11)12)7(9)4-6/h2-4H,5H2,1H3
- InChI Key： GPCGFRLQQJUONH-UHFFFAOYSA-N
- SMILES： ClC1C=C(C=CC=1[N+](=O)[O-])OCOC
Computed Properties
- Exact Mass: 217.01424
- Monoisotopic Mass: 217.0141854g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 14
- Rotatable Bond Count: 3
- Complexity: 196
- 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: 64.3?2
Experimental Properties
- PSA: 61.6
Benzene, 2-chloro-4-(methoxymethoxy)-1-nitro- Related Literature
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J. M. Granadino-Roldán,M. Fernández-Gómez,A. Navarro,T. Pe?a Ruiz,U. A. Jayasooriya Phys. Chem. Chem. Phys., 2004,6, 1133-1143
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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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Bidou Wang,Xifeng Chen Analyst, 2014,139, 5695-5699
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Yaqing Liu,Jiangtao Ren,Jing Li,Jiyang Liu,Erkang Wang Chem. Commun., 2012,48, 802-804
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Xue-Ying Wang,Ying Pei,Min Xie,Zi-He Jin,Ya-Shi Xiao,Yang Wang,Li-Na Zhang,Yan Li,Wei-Hua Huang Lab Chip, 2015,15, 1178-1187
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