Cas no 76429-79-3 ( )
structure
Product Name:
CAS No:76429-79-3
MF:C11H14Br2O
MW:322.03626203537
CID:982652
PubChem ID:334093
Update Time:2025-04-20
Chemical and Physical Properties
Names and Identifiers
-
- 2-bromo-1-(4-bromobutoxy)-4-methylbenzene
- 76429-79-3
- DTXSID40318999
- NSC-338427
- 2-Bromo-1-(4-bromo-butoxy)-4-methyl-benzene
- NSC338427
-
-
- Inchi： 1S/C11H14Br2O/c1-9-4-5-11(10(13)8-9)14-7-3-2-6-12/h4-5,8H,2-3,6-7H2,1H3
- InChI Key： QVGOUHOPYHVHBD-UHFFFAOYSA-N
- SMILES： BrCCCCOC1C=CC(C)=CC=1Br
Computed Properties
- Exact Mass: 321.93909g/mol
- Monoisotopic Mass: 319.94114g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 14
- Rotatable Bond Count: 5
- Complexity: 152
- 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: 4.4
- Topological Polar Surface Area: 9.2?2
Related Literature
-
Yang Chen,Di Zhou,Zheyi Meng,Jin Zhai Chem. Commun., 2016,52, 10020-10023
-
Huifang Yang,Haoran Guo,Peidong Fan,Xinpan Li,Wenlu Ren,Rui Song Nanoscale, 2020,12, 7024-7034
-
Eunhak Lim,Jiyoung Heo,Seong Keun Kim Nanoscale, 2019,11, 11369-11378
-
Doug Ogrin,Laura H. van Poppel,Simon G. Bott,Andrew R. Barron Dalton Trans., 2004, 3689-3694
-
Huiying Xu,Lu Zheng,Yu Zhou,Bang-Ce Ye Analyst, 2021,146, 5542-5549
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