88967-57-1 ((1-Chlorocyclohexene)

快速询单

结构式：

1-ChlorocyclohexeneMOL文件

CAS号：

88967-57-1

英文名称：

1-Chlorocyclohexene

分子式：

C₆H₉Cl

分子量：

116.588660955429

1-Chlorocyclohexene(88967-57-1)名称与标识符

名称

英文别名：

Cyclohexene, 1-chloro-(8CI);chloro-cyclohexene;DTXSID0073243;DTXCID9048851;AKOS000283815;Cyclohexene, 1-chloro-;930-66-5;DB-019129;88967-57-1;1-CHLOROCYCLOHEXENE;NSC-148275;1-Chloro-1-cyclohexene #;FC72028;NSC 148275;1-Chloro-1-cyclohexene;EN300-250920;MFCD00013773;Cyclohexene, 1-chloro-(8CI)(9CI);1-Chlorocyclohex-1-ene;1-Chlorocyclohexene-1;NSC148275;FD10699;1-chloro-cyclohexene;SCHEMBL423877;

标识符

InChIKey：

BUAKPITZELZWNI-UHFFFAOYSA-N

Inchi：

1S/C6H9Cl/c7-6-4-2-1-3-5-6/h4H,1-3,5H2

SMILES：

ClC1=CCCCC1

1-Chlorocyclohexene(88967-57-1)物化性质

计算特性

精确分子量 : 116.0392780Da
氢键供体数量 : 0
氢键受体数量 : 0
可旋转化学键数量 : 0
同位素质量 : 116.0392780Da
重原子数量 : 7
复杂度 : 84.2
同位素原子数量 : 0
确定原子立构中心数量 : 0
不确定原子立构中心数量 : 0
确定化学键立构中心数量 : 0
不确定化学键立构中心数量 : 0
共价键单元数量 : 1
疏水参数计算参考值（XlogP） : 2.6
拓扑分子极性表面积 : 0Å²

1-Chlorocyclohexene(88967-57-1)相关文献

1. Photolysis of nitroso-compounds. Part IV. 1-Chloro-1-nitrosocyclohexane and other geminal chloro-nitroso-compounds
Brian G. Gowenlock,Josef Pfab,Günther Kresze J. Chem. Soc. Perkin Trans. 2 1974 511
2. Regioselective dihydroarene oxide formation during ortho-hydroxylation of halogenobenzenes by fungi
Barbara J. Auret,Suresh K. Balani,Derek R. Boyd,Ruth M. E. Greene,Glenn A. Berchtold J. Chem. Soc. Perkin Trans. 1 1984 2659
3. 43. Rubber, polyisoprenes, and allied compounds. Part VI. The mechanism of halogen-substitution reactions, and the additive halogenation of rubber and of dihydromyrcene
George F. Bloomfield J. Chem. Soc. 1944 114
4. 413. Alkenylation by use of lithium alkenyls. Part IV. The condensation of cyclohexenyl-lithium with aldehydes and ketones, and some reactions of the resulting carbinols. (Studies in molecular rearrangement. Part V.)
E. A. Braude,J. A. Coles J. Chem. Soc. 1950 2014
5. 414. Reactions of some alkyl chloroformates
K. W. Buck,A. B. Foster J. Chem. Soc. 1963 2217
6. Lewis acid catalysis of the ene addition of chloral and bromal to olefins; product studies
Jill P. Benner,G. Bryon Gill,Stephen J. Parrott,Brian Wallace J. Chem. Soc. Perkin Trans. 1 1984 291
7. Stereodivergent routes in organic synthesis: marine natural products, lactones, other natural products, heterocycles and unnatural compounds
Carmen Nájera,Francisco Foubelo,José M. Sansano,Miguel Yus Org. Biomol. Chem. 2020 18 1279
8. 410. Alkenylation by use of lithium alkenyls. Part I. The condensation of isobutenyl-lithium with benzaldehyde and acetophenone, and the oxotropic rearrangement of the resulting carbinols. (Studies in molecular rearrangement. Part III.)
E. A. Braude,C. J. Timmons J. Chem. Soc. 1950 2000
9. 123. Mechanism and stereochemistry of the addition of nitrogen dioxide to olefins
J. C. D. Brand,I. D. R. Stevens J. Chem. Soc. 1958 629
10. 442. Allenes. Part III. The synthesis of cyclic allenes
W. J. Ball,S. R. Landor J. Chem. Soc. 1962 2298