Cas no 90-25-5 (Benzene,1-chloro-3,5-dimethoxy-2-nitro-)
90-25-5 structure
Product Name:Benzene,1-chloro-3,5-dimethoxy-2-nitro-
Benzene,1-chloro-3,5-dimethoxy-2-nitro- Chemical and Physical Properties
Names and Identifiers
-
- Benzene,1-chloro-3,5-dimethoxy-2-nitro-
- 1-chloro-3,5-dimethoxy-2-nitrobenzene
- 2-Methyl indole
- EINECS 201-979-9
- DTXSID8059005
- NS00039356
- Benzene, 1-chloro-3,5-dimethoxy-2-nitro-
- FT-0613058
- C6EDU2ZX67
- AKOS015849936
- SCHEMBL364793
- 90-25-5
-
- MDL： MFCD16660997
- Inchi： 1S/C8H8ClNO4/c1-13-5-3-6(9)8(10(11)12)7(4-5)14-2/h3-4H,1-2H3
- InChI Key： VHLPIOGWYXZJJT-UHFFFAOYSA-N
- SMILES： ClC1=CC(=CC(=C1[N+](=O)[O-])OC)OC
Computed Properties
- Exact Mass: 217.014
- Monoisotopic Mass: 217.014
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 14
- Rotatable Bond Count: 3
- Complexity: 208
- 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
- Topological Polar Surface Area: 64.3A^2
- XLogP3: 2.3
Experimental Properties
- Density: 1.349
- Melting Point: 158.5 deg C
- Boiling Point: 352.2°C at 760 mmHg
- Flash Point: 166.8°C
- Refractive Index: 1.545
Benzene,1-chloro-3,5-dimethoxy-2-nitro- Related Literature
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Christopher B. Rodell,Christopher B. Highley,Minna H. Chen,Neville N. Dusaj,Chao Wang,Lin Han,Jason A. Burdick Soft Matter, 2016,12, 7839-7847
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Erika A. Cobar,Paul R. Horn,Robert G. Bergman,Martin Head-Gordon Phys. Chem. Chem. Phys., 2012,14, 15328-15339
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Long Deng,Qian Zou,Biao Liu,Wenhui Ye,Chengfei Zhuo,Li Chen,Ze-Yuan Deng,Ya-Wei Fan,Jing Li Food Funct., 2018,9, 4234-4245
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Ji-Ping Wei Nanoscale, 2015,7, 11815-11832
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