Cas no 54757-29-8 (Benzene, 2-(bromomethyl)-1,3,4-trimethyl-)
54757-29-8 structure
Product Name:Benzene, 2-(bromomethyl)-1,3,4-trimethyl-
CAS No:54757-29-8
MF:C10H13Br
MW:213.114222288132
CID:353768
PubChem ID:11820523
Update Time:2025-04-19
Benzene, 2-(bromomethyl)-1,3,4-trimethyl- Chemical and Physical Properties
Names and Identifiers
-
- Benzene, 2-(bromomethyl)-1,3,4-trimethyl-
- 2-(bromomethyl)-1,3,4-trimethylbenzene
- DTXSID40473779
- 54757-29-8
- SCHEMBL10752183
-
- Inchi： 1S/C10H13Br/c1-7-4-5-8(2)10(6-11)9(7)3/h4-5H,6H2,1-3H3
- InChI Key： VHJZQAMILFUIKW-UHFFFAOYSA-N
- SMILES： BrCC1C(C)=CC=C(C)C=1C
Computed Properties
- Exact Mass: 212.02009
- Monoisotopic Mass: 212.02006g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 0
- Heavy Atom Count: 11
- Rotatable Bond Count: 1
- Complexity: 122
- 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: 4.2
- Topological Polar Surface Area: 0?2
Experimental Properties
- PSA: 0
Benzene, 2-(bromomethyl)-1,3,4-trimethyl- Related Literature
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Weili Dai,Guangjun Wu,Michael Hunger Chem. Commun., 2015,51, 13779-13782
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Helga Garcia,Rui Ferreira,Marija Petkovic,Jamie L. Ferguson,Maria C. Leit?o,H. Q. Nimal Gunaratne,Luís Paulo N. Rebelo Green Chem., 2010,12, 367-369
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Amit Kumar Majhi,Subbarao Kanchi,V. Venkataraman,K. G. Ayappa,Prabal K. Maiti Soft Matter, 2015,11, 8632-8640
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Daniel Messmer,Stefan Salentinig,Jakob Heier Nanoscale, 2019,11, 6929-6938
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Gang Pan,Yi-jie Bao,Jie Xu,Tao Liu,Cheng Liu,Yan-yan Qiu,Xiao-jing Shi,Hui Yu,Ting-ting Jia,Xia Yuan,Ze-ting Yuan,Yi-jun Cao RSC Adv., 2016,6, 42109-42119
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