Cas no 7462-26-2 ( )
structure
Product Name:
CAS No:7462-26-2
MF:C13H17Br
MW:253.178083181381
CID:979508
PubChem ID:346134
Update Time:2025-04-19
Chemical and Physical Properties
Names and Identifiers
-
- 2-bromo-4-cyclohexyl-1-methylbenzene
- AC1L84AT
- NSC404192
- NSC-404192
- DTXSID80323522
- 7462-26-2
-
-
- Inchi： 1S/C13H17Br/c1-10-7-8-12(9-13(10)14)11-5-3-2-4-6-11/h7-9,11H,2-6H2,1H3
- InChI Key： RYTFUYHOVIBJFD-UHFFFAOYSA-N
- SMILES： BrC1=C(C)C=CC(=C1)C1CCCCC1
Computed Properties
- Exact Mass: 252.05141
- Monoisotopic Mass: 252.051
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 0
- Heavy Atom Count: 14
- Rotatable Bond Count: 1
- Complexity: 172
- 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: 5.5
- Topological Polar Surface Area: 0?2
Experimental Properties
- Density: 1.246
- Boiling Point: 309°C at 760 mmHg
- Flash Point: 138°C
- Refractive Index: 1.549
- PSA: 0
- LogP: 4.80520
Related Literature
-
Yong Ping Huang,Tao Tao,Zheng Chen,Wei Han,Ying Wu,Chunjiang Kuang,Shaoxiong Zhou,Ying Chen J. Mater. Chem. A, 2014,2, 18831-18837
-
Chung-Sung Yang,Mong-Shian Shih,Fang-Yi Chang New J. Chem., 2006,30, 729-735
-
Erika A. Cobar,Paul R. Horn,Robert G. Bergman,Martin Head-Gordon Phys. Chem. Chem. Phys., 2012,14, 15328-15339
-
Xinhuan Wang,Shuangfei Cai,Cui Qi Analyst, 2017,142, 2500-2506
-
Huading Zhang,Lee R. Moore,Maciej Zborowski,P. Stephen Williams,Shlomo Margel,Jeffrey J. Chalmers Analyst, 2005,130, 514-527
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