Cas no 919522-58-0 (Benzene, 2-bromo-3-chloro-4-methyl-1-nitro-)
919522-58-0 structure
Product Name:Benzene, 2-bromo-3-chloro-4-methyl-1-nitro-
CAS No:919522-58-0
MF:C7H5BrClNO2
MW:250.477100133896
CID:762136
PubChem ID:71424961
Update Time:2025-04-19
Benzene, 2-bromo-3-chloro-4-methyl-1-nitro- Chemical and Physical Properties
Names and Identifiers
-
- Benzene, 2-bromo-3-chloro-4-methyl-1-nitro-
- 3-bromo-2-chloro-1-methyl-4-nitrobenzene
- 919522-58-0
- 2-Bromo-3-chloro-4-methyl-1-nitrobenzene
- DTXSID80843750
-
- Inchi: 1S/C7H5BrClNO2/c1-4-2-3-5(10(11)12)6(8)7(4)9/h2-3H,1H3
- InChI Key: UCORFPLFGUQUJD-UHFFFAOYSA-N
- SMILES: BrC1C(=C(C)C=CC=1[N+](=O)[O-])Cl
Computed Properties
- Exact Mass: 248.91922g/mol
- Monoisotopic Mass: 248.91922g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 12
- Rotatable Bond Count: 0
- Complexity: 185
- 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: 3.4
- Topological Polar Surface Area: 45.8?2
Benzene, 2-bromo-3-chloro-4-methyl-1-nitro- Related Literature
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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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Yuan-Jun Tong,Lu-Dan Yu,Lu-Lu Wu,Shu-Ping Cao,Ru-Ping Liang,Li Zhang,Xing-Hua Xia,Jian-Ding Qiu Chem. Commun., 2018,54, 7487-7490
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Yang Xu,Min Wang,Donghui Wei,Rongqiang Tian,Zheng Duan,Fran?ois Mathey Dalton Trans., 2019,48, 5523-5526
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Christian K. Rank,Alexander W. Jones,Tatjana Wall,Patrick Di Martino-Fumo,Sarah Schr?ck,Markus Gerhards,Frederic W. Patureau Chem. Commun., 2019,55, 13749-13752
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