Cas no 60724-94-9 (1-(2-bromoethyl)-2,3,4,5,6-pentamethylbenzene)
60724-94-9 structure
Product Name:1-(2-bromoethyl)-2,3,4,5,6-pentamethylbenzene
CAS No:60724-94-9
MF:C13H19Br
MW:255.193963289261
CID:953419
PubChem ID:53402504
Update Time:2025-04-19
1-(2-bromoethyl)-2,3,4,5,6-pentamethylbenzene Chemical and Physical Properties
Names and Identifiers
-
- 1-(2-bromoethyl)-2,3,4,5,6-pentamethylbenzene
- DTXSID00695011
- 60724-94-9
- J-502950
-
- MDL： MFCD11110038
- Inchi： 1S/C13H19Br/c1-8-9(2)11(4)13(6-7-14)12(5)10(8)3/h6-7H2,1-5H3
- InChI Key： CWEQPCFJBYRKPU-UHFFFAOYSA-N
- SMILES： BrCCC1C(C)=C(C)C(C)=C(C)C=1C
Computed Properties
- Exact Mass: 254.06701g/mol
- Monoisotopic Mass: 254.06701g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 0
- Heavy Atom Count: 14
- Rotatable Bond Count: 2
- Complexity: 162
- 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: 4.8
- Topological Polar Surface Area: 0?2
1-(2-bromoethyl)-2,3,4,5,6-pentamethylbenzene Related Literature
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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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Xixi Li,Nanwei Zhu,Ruohan Li,Qinpu Zhang Anal. Methods, 2020,12, 3376-3381
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Jialiang Yuan,Ran Dong,Yuan Li,Yang Liu,Zhuo Zheng,Yuxia Liu,Yan Sun,Benhe Zhong,Zhenguo Wu,Xiaodong Guo Chem. Commun., 2021,57, 13004-13007
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