Cas no 120455-54-1 (Benzenamine, 2,5-dibromo-3,6-dimethyl-4-nitro-)
120455-54-1 structure
Product Name:Benzenamine, 2,5-dibromo-3,6-dimethyl-4-nitro-
CAS No:120455-54-1
MF:C8H8Br2N2O2
MW:323.969320297241
CID:1209323
PubChem ID:14318734
Update Time:2025-04-20
Benzenamine, 2,5-dibromo-3,6-dimethyl-4-nitro- Chemical and Physical Properties
Names and Identifiers
-
- Benzenamine, 2,5-dibromo-3,6-dimethyl-4-nitro-
- 2,5-dibromo-3,6-dimethyl-4-nitroaniline
- DTXSID60558855
- 120455-54-1
-
- Inchi： 1S/C8H8Br2N2O2/c1-3-6(10)8(12(13)14)4(2)5(9)7(3)11/h11H2,1-2H3
- InChI Key： RSEYNKUTYNHDII-UHFFFAOYSA-N
- SMILES： BrC1C(=C(C)C(=C(C=1C)N)Br)[N+](=O)[O-]
Computed Properties
- Exact Mass: 321.89524
- Monoisotopic Mass: 321.89525g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 14
- Rotatable Bond Count: 0
- Complexity: 234
- 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: 3.2
- Topological Polar Surface Area: 71.8?2
Experimental Properties
- PSA: 69.16
Benzenamine, 2,5-dibromo-3,6-dimethyl-4-nitro- Related Literature
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Christopher J. Harrison,Kyle J. Berean,Enrico Della Gaspera,Jian Zhen Ou,Richard B. Kaner,Kourosh Kalantar-zadeh,Torben Daeneke Nanoscale, 2016,8, 16276-16283
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Gerald J. Meyer,Leif Hammarstr?m Chem. Sci., 2020,11, 3460-3473
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Jonas Kind,Lukas Kaltschnee,Martin Leyendecker,Christina M. Thiele Chem. Commun., 2016,52, 12506-12509
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