Cas no 88521-07-7 (Benzene, bromo[(methylnitrophenyl)methyl]nitro-)
![Benzene, bromo[(methylnitrophenyl)methyl]nitro- structure](https://ossimg.kuujia.com/scimg/89000/88521-07-7x500.png)
88521-07-7 structure
Product Name:Benzene, bromo[(methylnitrophenyl)methyl]nitro-
CAS No:88521-07-7
MF:C14H11BrN2O4
MW:351.152142763138
CID:629953
PubChem ID:71318488
Update Time:2025-04-19
Benzene, bromo[(methylnitrophenyl)methyl]nitro- Chemical and Physical Properties
Names and Identifiers
-
- Benzene, bromo[(methylnitrophenyl)methyl]nitro-
- 1-[(2-bromo-6-nitrophenyl)methyl]-3-methyl-2-nitrobenzene
- 1-Bromo-2-[(3-methyl-2-nitrophenyl)methyl]-3-nitrobenzene
- 88521-07-7
- DTXSID40748595
-
- Inchi： 1S/C14H11BrN2O4/c1-9-4-2-5-10(14(9)17(20)21)8-11-12(15)6-3-7-13(11)16(18)19/h2-7H,8H2,1H3
- InChI Key： OWZWGCDFBPRRCE-UHFFFAOYSA-N
- SMILES： BrC1=CC=CC(=C1CC1C=CC=C(C)C=1[N+](=O)[O-])[N+](=O)[O-]
Computed Properties
- Exact Mass: 349.99022g/mol
- Monoisotopic Mass: 349.99022g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 21
- Rotatable Bond Count: 2
- Complexity: 395
- 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: 4.6
- Topological Polar Surface Area: 91.6?2
Benzene, bromo[(methylnitrophenyl)methyl]nitro- Related Literature
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Yong Ping Huang,Tao Tao,Zheng Chen,Wei Han,Ying Wu,Chunjiang Kuang,Shaoxiong Zhou,Ying Chen J. Mater. Chem. A, 2014,2, 18831-18837
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Gloria Belén Ramírez-Rodríguez,José Manuel Delgado-López,Jaime Gómez-Morales CrystEngComm, 2013,15, 2206-2212
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Shaun D. Wong,Edward I. Solomon Dalton Trans., 2014,43, 17567-17577
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Chao-Han Cheng,Wen-Zhen Wang,Shie-Ming Peng,I-Chia Chen Phys. Chem. Chem. Phys., 2017,19, 25471-25477
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