Cas no 57716-71-9 (Benzene, 1,2-dibromo-5-(1,1-dimethylethyl)-3-nitro-)
57716-71-9 structure
Product Name:Benzene, 1,2-dibromo-5-(1,1-dimethylethyl)-3-nitro-
CAS No:57716-71-9
MF:C10H11Br2NO2
MW:337.007841348648
CID:344476
PubChem ID:12250803
Update Time:2025-04-19
Benzene, 1,2-dibromo-5-(1,1-dimethylethyl)-3-nitro- Chemical and Physical Properties
Names and Identifiers
-
- Benzene, 1,2-dibromo-5-(1,1-dimethylethyl)-3-nitro-
- 1,2-dibromo-5-tert-butyl-3-nitrobenzene
- DTXSID20482425
- 3,4-Dibromo-5-nitrotertbutylbenzene
- 57716-71-9
- 1,2-Dibromo-5-(tert-butyl)-3-nitrobenzene
- A934525
-
- MDL： MFCD11846049
- Inchi： 1S/C10H11Br2NO2/c1-10(2,3)6-4-7(11)9(12)8(5-6)13(14)15/h4-5H,1-3H3
- InChI Key： OUSINYQPFAFDIP-UHFFFAOYSA-N
- SMILES： BrC1C(=C(C=C(C=1)C(C)(C)C)[N+](=O)[O-])Br
Computed Properties
- Exact Mass: 334.91563
- Monoisotopic Mass: 334.91565g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 0
- Heavy Atom Count: 15
- Rotatable Bond Count: 2
- Complexity: 247
- 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: 4.8
- Topological Polar Surface Area: 45.8?2
Experimental Properties
- PSA: 43.14
Benzene, 1,2-dibromo-5-(1,1-dimethylethyl)-3-nitro- Related Literature
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Hamid Heydari,Mohammad B. Gholivand New J. Chem., 2017,41, 237-244
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Alvin Tanudjaja,Shinsuke Inagi,Fusao Kitamura,Toshikazu Takata,Ikuyoshi Tomita Dalton Trans., 2021,50, 3037-3043
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Bo Cao,Yin Wei Chem. Commun., 2018,54, 2870-2873
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Siquan Zhang,Shengyao Wang,Liping Guo,Hao Chen,Bien Tan,Shangbin Jin J. Mater. Chem. C, 2020,8, 192-200
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