Cas no 53534-16-0 (Benzene, 1-(1,2-dibromoethyl)-3-nitro-)
53534-16-0 structure
Product Name:Benzene, 1-(1,2-dibromoethyl)-3-nitro-
CAS No:53534-16-0
MF:C8H7Br2NO2
MW:308.954680681229
CID:357044
PubChem ID:11404079
Update Time:2025-04-19
Benzene, 1-(1,2-dibromoethyl)-3-nitro- Chemical and Physical Properties
Names and Identifiers
-
- Benzene, 1-(1,2-dibromoethyl)-3-nitro-
- 1-(1,2-dibromoethyl)-3-nitrobenzene
- 53534-16-0
- DTXSID20464887
-
- Inchi： 1S/C8H7Br2NO2/c9-5-8(10)6-2-1-3-7(4-6)11(12)13/h1-4,8H,5H2
- InChI Key： WMICFDUSGUAMPY-UHFFFAOYSA-N
- SMILES： BrC(CBr)C1C=CC=C(C=1)[N+](=O)[O-]
Computed Properties
- Exact Mass: 306.88431
- Monoisotopic Mass: 306.88435g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 13
- Rotatable Bond Count: 2
- Complexity: 184
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 1
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 3.4
- Topological Polar Surface Area: 45.8?2
Experimental Properties
- PSA: 43.14
Benzene, 1-(1,2-dibromoethyl)-3-nitro- Related Literature
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Ivor Lon?ari? Phys. Chem. Chem. Phys., 2015,17, 9436-9445
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Christopher J. Harrison,Kyle J. Berean,Enrico Della Gaspera,Jian Zhen Ou,Richard B. Kaner,Kourosh Kalantar-zadeh,Torben Daeneke Nanoscale, 2016,8, 16276-16283
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Hongxia Li,Aikifa Raza,Qiaoyu Ge,Jin-You Lu,TieJun Zhang Soft Matter, 2020,16, 6841-6849
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Fereshteh Bayat Environ. Sci.: Nano, 2021,8, 367-389
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