Cas no 70951-50-7 (Benzene, 1-(1-bromo-1-methylethyl)-4-nitro-)
70951-50-7 structure
Product Name:Benzene, 1-(1-bromo-1-methylethyl)-4-nitro-
CAS No:70951-50-7
MF:C9H10BrNO2
MW:244.085201740265
CID:546359
PubChem ID:10705420
Update Time:2025-04-19
Benzene, 1-(1-bromo-1-methylethyl)-4-nitro- Chemical and Physical Properties
Names and Identifiers
-
- Benzene, 1-(1-bromo-1-methylethyl)-4-nitro-
- 1-(2-bromopropan-2-yl)-4-nitrobenzene
- DTXSID20443793
- 70951-50-7
- SCHEMBL677959
-
- Inchi： 1S/C9H10BrNO2/c1-9(2,10)7-3-5-8(6-4-7)11(12)13/h3-6H,1-2H3
- InChI Key： YHQZKFLXFSZILC-UHFFFAOYSA-N
- SMILES： BrC(C)(C)C1C=CC(=CC=1)[N+](=O)[O-]
Computed Properties
- Exact Mass: 242.9895
- Monoisotopic Mass: 242.98949g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 13
- Rotatable Bond Count: 1
- Complexity: 192
- 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: 2.8
- Topological Polar Surface Area: 45.8?2
Experimental Properties
- PSA: 43.14
Benzene, 1-(1-bromo-1-methylethyl)-4-nitro- Related Literature
-
Govind Reddy Mol. Syst. Des. Eng., 2021,6, 779-789
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Robert P. Davies,Maria A. Giménez,Laura Patel,Andrew J. P. White Dalton Trans., 2008, 5705-5707
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José M. Rivera,Mariana Martín-Hidalgo,Jean C. Rivera-Ríos Org. Biomol. Chem., 2012,10, 7562-7565
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Yu-Nong Li,Liang-Nian He,Xian-Dong Lang,Xiao-Fang Liu,Shuai Zhang RSC Adv., 2014,4, 49995-50002
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Philipp Traber,Stephan Kupfer,Stefanie Gr?fe,Isabelle Baussanne,Martine Demeunynck,Jean-Marie Mouesca,Serge Gambarelli,Vincent Artero,Murielle Chavarot-Kerlidou Chem. Sci., 2018,9, 4152-4159
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