Cas no 827340-53-4 (1,1'-Biphenyl, 4-(bromomethyl)-4'-methyl-3,3'-dinitro-)
827340-53-4 structure
Product Name:1,1'-Biphenyl, 4-(bromomethyl)-4'-methyl-3,3'-dinitro-
CAS No:827340-53-4
MF:C14H11BrN2O4
MW:351.152142763138
CID:684440
PubChem ID:71417483
Update Time:2025-04-19
1,1'-Biphenyl, 4-(bromomethyl)-4'-methyl-3,3'-dinitro- Chemical and Physical Properties
Names and Identifiers
-
- 1,1'-Biphenyl, 4-(bromomethyl)-4'-methyl-3,3'-dinitro-
- 4-[4-(bromomethyl)-3-nitrophenyl]-1-methyl-2-nitrobenzene
- 4-(Bromomethyl)-4'-methyl-3,3'-dinitro-1,1'-biphenyl
- DTXSID30836819
- 827340-53-4
-
- Inchi： 1S/C14H11BrN2O4/c1-9-2-3-10(6-13(9)16(18)19)11-4-5-12(8-15)14(7-11)17(20)21/h2-7H,8H2,1H3
- InChI Key： UJUDVLLKXYXMQG-UHFFFAOYSA-N
- SMILES： BrCC1C=CC(=CC=1[N+](=O)[O-])C1C=CC(C)=C(C=1)[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: 4.1
- Topological Polar Surface Area: 91.6?2
1,1'-Biphenyl, 4-(bromomethyl)-4'-methyl-3,3'-dinitro- Related Literature
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Jianyao Huang,Dong Gao,Zhihui Chen,Weifeng Zhang Polym. Chem., 2021,12, 2471-2480
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Ravi Kumar Yadav,R. Govindaraj Phys. Chem. Chem. Phys., 2020,22, 26876-26886
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Alvin Tanudjaja,Shinsuke Inagi,Fusao Kitamura,Toshikazu Takata,Ikuyoshi Tomita Dalton Trans., 2021,50, 3037-3043
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