Cas no 702642-07-7 (Benzene,1-bromo-3-ethyl-2-nitro-)
702642-07-7 structure
Product Name:Benzene,1-bromo-3-ethyl-2-nitro-
CAS No:702642-07-7
MF:C8H8BrNO2
MW:230.058621406555
CID:557363
PubChem ID:45095759
Update Time:2025-04-19
Benzene,1-bromo-3-ethyl-2-nitro- Chemical and Physical Properties
Names and Identifiers
-
- Benzene,1-bromo-3-ethyl-2-nitro-
- Benzene, 1-bromo-3-ethyl-2-nitro- (9CI)
- 1-bromo-3-ethyl-2-nitrobenzene
- DTXSID60667431
- 702642-07-7
- Benzene,1-bromo-3-ethyl-2-nitro-(9ci)
-
- Inchi： 1S/C8H8BrNO2/c1-2-6-4-3-5-7(9)8(6)10(11)12/h3-5H,2H2,1H3
- InChI Key： LXFNOYWGIXBJLG-UHFFFAOYSA-N
- SMILES： BrC1=CC=CC(=C1[N+](=O)[O-])CC
Computed Properties
- Exact Mass: 228.97384
- Monoisotopic Mass: 228.974
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 12
- Rotatable Bond Count: 1
- Complexity: 169
- 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: 45.8A^2
- XLogP3: 3.2
Experimental Properties
- PSA: 43.14
Benzene,1-bromo-3-ethyl-2-nitro- Related Literature
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Kevin M. Koo,Abu Ali Ibn Sina,Laura G. Carrascosa,Muhammad J. A. Shiddiky Analyst, 2014,139, 6178-6184
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Ji-Ping Wei Nanoscale, 2015,7, 11815-11832
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4. Estimating and correcting interference fringes in infrared spectra in infrared hyperspectral imagingGhazal Azarfar,Ebrahim Aboualizadeh,Nicholas M. Walter,Simona Ratti,Camilla Olivieri,Alessandra Norici,Michael Nasse,Achim Kohler,Mario Giordano Analyst, 2018,143, 4674-4683
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