Cas no 88106-03-0 (Benzenamine, 3-bromo-N-methoxy-2,4,6-trinitro-)
88106-03-0 structure
Product Name:Benzenamine, 3-bromo-N-methoxy-2,4,6-trinitro-
CAS No:88106-03-0
MF:C7H5BrN4O7
MW:337.041200399399
CID:644832
PubChem ID:13213776
Update Time:2025-04-19
Benzenamine, 3-bromo-N-methoxy-2,4,6-trinitro- Chemical and Physical Properties
Names and Identifiers
-
- Benzenamine, 3-bromo-N-methoxy-2,4,6-trinitro-
- 3-bromo-N-methoxy-2,4,6-trinitroaniline
- 88106-03-0
- DTXSID10528568
-
- Inchi： 1S/C7H5BrN4O7/c1-19-9-6-4(11(15)16)2-3(10(13)14)5(8)7(6)12(17)18/h2,9H,1H3
- InChI Key： XHKSRSHQKJSOKA-UHFFFAOYSA-N
- SMILES： BrC1=C(C=C(C(=C1[N+](=O)[O-])NOC)[N+](=O)[O-])[N+](=O)[O-]
Computed Properties
- Exact Mass: 335.93416g/mol
- Monoisotopic Mass: 335.93416g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 8
- Heavy Atom Count: 19
- Rotatable Bond Count: 2
- Complexity: 377
- 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: 2.7
- Topological Polar Surface Area: 159?2
Benzenamine, 3-bromo-N-methoxy-2,4,6-trinitro- Related Literature
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Xinhuan Wang,Shuangfei Cai,Cui Qi Analyst, 2017,142, 2500-2506
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Joo Chuan Yeo,Kenry Lab Chip, 2016,16, 4082-4090
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Tengfei Yu,Yuehan Wu,Wei Li,Bin Li RSC Adv., 2014,4, 34134-34143
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Liao Xiaoqing,Li Ruiyi,Li Zaijun,Sun Xiulan,Wang Zhouping,Liu Junkang New J. Chem., 2015,39, 5240-5248
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Sowmyalakshmi Venkataraman RSC Adv., 2015,5, 73807-73813
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