Cas no 4185-60-8 (1-bromo-4,5-dinitronaphthalene)
4185-60-8 structure
Product Name:1-bromo-4,5-dinitronaphthalene
CAS No:4185-60-8
MF:C10H5BrN2O4
MW:297.061701536179
CID:1093146
PubChem ID:1822404
Update Time:2025-04-20
1-bromo-4,5-dinitronaphthalene Chemical and Physical Properties
Names and Identifiers
-
- 1-bromo-4,5-dinitronaphthalene
- AE-562/12222072
- AKOS005594501
- 4185-60-8
- DTXSID901305787
- STK676668
-
- Inchi： 1S/C10H5BrN2O4/c11-7-4-5-9(13(16)17)10-6(7)2-1-3-8(10)12(14)15/h1-5H
- InChI Key： AKXJGGFSIKWOTR-UHFFFAOYSA-N
- SMILES： BrC1C=CC(=C2C(=CC=CC2=1)[N+](=O)[O-])[N+](=O)[O-]
Computed Properties
- Exact Mass: 295.94325
- Monoisotopic Mass: 295.94327g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 0
- Heavy Atom Count: 17
- Rotatable Bond Count: 2
- Complexity: 327
- 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: 91.6?2
Experimental Properties
- PSA: 86.28
1-bromo-4,5-dinitronaphthalene Related Literature
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Gloria Belén Ramírez-Rodríguez,José Manuel Delgado-López,Jaime Gómez-Morales CrystEngComm, 2013,15, 2206-2212
-
Hongxia Li,Aikifa Raza,Qiaoyu Ge,Jin-You Lu,TieJun Zhang Soft Matter, 2020,16, 6841-6849
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J. Zagora,M. Vosla?,L. Schreiberová,I. Schreiber Phys. Chem. Chem. Phys., 2002,4, 1284-1291
-
Joo Chuan Yeo,Kenry Lab Chip, 2016,16, 4082-4090
-
Hanie Hashtroudi,Ian D. R. Mackinnon J. Mater. Chem. C, 2020,8, 13108-13126
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