Cas no 923547-56-2 (4-Bromo-2-tert-butyl-1-nitrobenzene)
923547-56-2 structure
Product Name:4-Bromo-2-tert-butyl-1-nitrobenzene
CAS No:923547-56-2
MF:C10H12BrNO2
MW:258.111782073975
CID:1006004
PubChem ID:11958954
Update Time:2025-04-20
4-Bromo-2-tert-butyl-1-nitrobenzene Chemical and Physical Properties
Names and Identifiers
-
- 4-Bromo-2-tert-butyl-1-nitrobenzene
- 4-bromo-2-(tert-butyl)nitrobenzene
- 923547-56-2
- 4-bromo-2-(tert-butyl)-1-nitrobenzene
- DB-316331
-
- Inchi： 1S/C10H12BrNO2/c1-10(2,3)8-6-7(11)4-5-9(8)12(13)14/h4-6H,1-3H3
- InChI Key： CMOVHEIILZUNOS-UHFFFAOYSA-N
- SMILES： BrC1C=CC(=C(C=1)C(C)(C)C)[N+](=O)[O-]
Computed Properties
- Exact Mass: 257.00514g/mol
- Monoisotopic Mass: 257.00514g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 0
- Heavy Atom Count: 14
- Rotatable Bond Count: 2
- Complexity: 219
- 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: 4.1
- Topological Polar Surface Area: 45.8?2
4-Bromo-2-tert-butyl-1-nitrobenzene Related Literature
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Craig A. Kelly,David R. Rosseinsky Phys. Chem. Chem. Phys., 2001,3, 2086-2090
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Christopher J. Harrison,Kyle J. Berean,Enrico Della Gaspera,Jian Zhen Ou,Richard B. Kaner,Kourosh Kalantar-zadeh,Torben Daeneke Nanoscale, 2016,8, 16276-16283
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Albertus D. Handoko,Khoong Hong Khoo,Teck Leong Tan,Hongmei Jin,Zhi Wei Seh J. Mater. Chem. A, 2018,6, 21885-21890
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Amandine Altmayer-Henzien,Valérie Declerck,David J. Aitken,Ewen Lescop,Denis Merlet,Jonathan Farjon Org. Biomol. Chem., 2013,11, 7611-7615
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Qiaoe Wang,Meiling Lian,Xiaowen Zhu,Xu Chen RSC Adv., 2021,11, 192-197
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