Cas no 90019-32-2 (Methanone, (2-chlorophenyl)(2,3-dichloro-5-nitrophenyl)-)
90019-32-2 structure
Product Name:Methanone, (2-chlorophenyl)(2,3-dichloro-5-nitrophenyl)-
CAS No:90019-32-2
MF:C13H6Cl3NO3
MW:330.550640583038
CID:796252
PubChem ID:71430660
Update Time:2025-04-19
Methanone, (2-chlorophenyl)(2,3-dichloro-5-nitrophenyl)- Chemical and Physical Properties
Names and Identifiers
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- Methanone, (2-chlorophenyl)(2,3-dichloro-5-nitrophenyl)-
- (2-chlorophenyl)-(2,3-dichloro-5-nitrophenyl)methanone
- DTXSID80849272
- (2-Chlorophenyl)(2,3-dichloro-5-nitrophenyl)methanone
- 90019-32-2
-
- Inchi： 1S/C13H6Cl3NO3/c14-10-4-2-1-3-8(10)13(18)9-5-7(17(19)20)6-11(15)12(9)16/h1-6H
- InChI Key： QUWASTZCVMOIHO-UHFFFAOYSA-N
- SMILES： ClC1=C(C=C(C=C1C(C1C=CC=CC=1Cl)=O)[N+](=O)[O-])Cl
Computed Properties
- Exact Mass: 328.941326g/mol
- Monoisotopic Mass: 328.941326g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 20
- Rotatable Bond Count: 2
- Complexity: 388
- 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: 5
- Topological Polar Surface Area: 62.9?2
Methanone, (2-chlorophenyl)(2,3-dichloro-5-nitrophenyl)- Related Literature
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Chengbin Yang,Hing Lun Tsang,Pui Man Lau,Ken-Tye Yong,Ho Pui Ho,Siu Kai Kong Analyst, 2017,142, 3579-3587
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Inês S. Albuquerque,Hélia F. Jeremias,Miguel Chaves-Ferreira,Dijana Matak-Vinkovic,Omar Boutureira,Carlos C. Rom?o Chem. Commun., 2015,51, 3993-3996
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P. K. Wawrzyniak,M. T. P. Beerepoot,H. J. M. de Groot,F. Buda Phys. Chem. Chem. Phys., 2011,13, 10270-10279
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James D. Kirkham,Patrick M. Delaney,George J. Ellames,Eleanor C. Row,Joseph P. A. Harrity Chem. Commun., 2010,46, 5154-5156
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Chongyang Zhu,Xiaojia Bian,Xin Jia,Ning Tang,Yongqiang Cheng Food Funct., 2020,11, 10635-10644
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