Cas no 21086-34-0 (Benzene, 1-(1,2-dibromoethyl)-4-nitro-)
21086-34-0 structure
Product Name:Benzene, 1-(1,2-dibromoethyl)-4-nitro-
CAS No:21086-34-0
MF:C8H7Br2NO2
MW:308.954680681229
CID:1398362
PubChem ID:12363883
Update Time:2025-04-20
Benzene, 1-(1,2-dibromoethyl)-4-nitro- Chemical and Physical Properties
Names and Identifiers
-
- Benzene, 1-(1,2-dibromoethyl)-4-nitro-
- 1-(1,2-dibromoethyl)-4-nitrobenzene
- DTXSID80494322
- 21086-34-0
-
- Inchi： 1S/C8H7Br2NO2/c9-5-8(10)6-1-3-7(4-2-6)11(12)13/h1-4,8H,5H2
- InChI Key： SXKODRJPXWKNPW-UHFFFAOYSA-N
- SMILES： BrC(CBr)C1C=CC(=CC=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: 176
- 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: 3.1
- Topological Polar Surface Area: 45.8?2
Experimental Properties
- PSA: 43.14
Benzene, 1-(1,2-dibromoethyl)-4-nitro- Related Literature
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Ana G. Neo,Ana Bornadiego,Jesús Díaz,Stefano Marcaccini,Carlos F. Marcos Org. Biomol. Chem., 2013,11, 6546-6555
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Qiyuan Wu,Shangmin Xiong,Peichuan Shen,Shen Zhao,Alexander Orlov Catal. Sci. Technol., 2015,5, 2059-2064
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Weili Dai,Guangjun Wu,Michael Hunger Chem. Commun., 2015,51, 13779-13782
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Xing Zhao,Lu Bai,Rui-Ying Bao,Zheng-Ying Liu,Ming-Bo Yang,Wei Yang RSC Adv., 2017,7, 46297-46305
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