Cas no 42959-99-9 (Methanone,(2-bromo-3-nitrophenyl)phenyl-)
42959-99-9 structure
Product Name:Methanone,(2-bromo-3-nitrophenyl)phenyl-
CAS No:42959-99-9
MF:C13H8BrNO3
MW:306.111522674561
CID:329640
PubChem ID:3016398
Update Time:2025-04-19
Methanone,(2-bromo-3-nitrophenyl)phenyl- Chemical and Physical Properties
Names and Identifiers
-
- Methanone,(2-bromo-3-nitrophenyl)phenyl-
- (2-bromo-3-nitrophenyl) phenyl ketone
- (2-bromo-3-nitrophenyl)-phenylmethanone
- 42959-99-9
- EINECS 256-020-7
- (2-bromo-3-nitrophenyl)phenyl ketone
- DTXSID20195583
- NS00031272
-
- Inchi： 1S/C13H8BrNO3/c14-12-10(7-4-8-11(12)15(17)18)13(16)9-5-2-1-3-6-9/h1-8H
- InChI Key： CXJKOOUMPLYFMK-UHFFFAOYSA-N
- SMILES： BrC1C(=CC=CC=1C(C1C=CC=CC=1)=O)[N+](=O)[O-]
Computed Properties
- Exact Mass: 304.968756
- Monoisotopic Mass: 304.968756
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 18
- Rotatable Bond Count: 2
- Complexity: 323
- 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
- Topological Polar Surface Area: 62.9
- XLogP3: 3.8
Experimental Properties
- Density: 1.565
- Boiling Point: 393.8°Cat760mmHg
- Flash Point: 192°C
- Refractive Index: 1.637
Methanone,(2-bromo-3-nitrophenyl)phenyl- Related Literature
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Olga Guselnikova,Gérard Audran,Jean-Patrick Joly,Andrii Trelin,Evgeny V. Tretyakov,Vaclav Svorcik,Oleksiy Lyutakov,Sylvain R. A. Marque Chem. Sci., 2021,12, 4154-4161
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J. Xu,T. J. Carrocci,A. A. Hoskins Chem. Commun., 2016,52, 549-552
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Abdelaziz Houmam,Emad M. Hamed Chem. Commun., 2012,48, 11328-11330
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Long Deng,Qian Zou,Biao Liu,Wenhui Ye,Chengfei Zhuo,Li Chen,Ze-Yuan Deng,Ya-Wei Fan,Jing Li Food Funct., 2018,9, 4234-4245
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Kay S. McMillan,Anthony G. McCluskey,Annette Sorensen,Marie Boyd,Michele Zagnoni Analyst, 2016,141, 100-110
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