Cas no 116163-99-6 (1-bromo-2,5-dibutoxy-4-nitrobenzene)
116163-99-6 structure
Product Name:1-bromo-2,5-dibutoxy-4-nitrobenzene
CAS No:116163-99-6
MF:C14H20BrNO4
MW:346.216903686523
CID:2614188
PubChem ID:14044131
Update Time:2025-04-21
1-bromo-2,5-dibutoxy-4-nitrobenzene Chemical and Physical Properties
Names and Identifiers
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- 1-bromo-2,5-dibutoxy-4-nitrobenzene
- 116163-99-6
- DTXSID60554918
-
- Inchi： 1S/C14H20BrNO4/c1-3-5-7-19-13-10-12(16(17)18)14(9-11(13)15)20-8-6-4-2/h9-10H,3-8H2,1-2H3
- InChI Key： BHYCBQZJEJBLDB-UHFFFAOYSA-N
- SMILES： BrC1=CC(=C(C=C1OCCCC)[N+](=O)[O-])OCCCC
Computed Properties
- Exact Mass: 345.05757Da
- Monoisotopic Mass: 345.05757Da
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 20
- Rotatable Bond Count: 8
- Complexity: 285
- 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: 4.9
- Topological Polar Surface Area: 64.3?2
1-bromo-2,5-dibutoxy-4-nitrobenzene Related Literature
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Gaurav J. Shah,Eric P.-Y. Chiou,Ming C. Wu,Chang-Jin “CJ” Kim Lab Chip, 2009,9, 1732-1739
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Sowmyalakshmi Venkataraman RSC Adv., 2015,5, 73807-73813
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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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Bo Wei,Zhenyu Liu,Chen Xie,Shu Yang,Wentao Tang,Aiwei Gu,Wing-Tak Wong,Ka-Leung Wong J. Mater. Chem. C, 2015,3, 12322-12327
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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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