Cas no 100020-95-9 (1,4-Ethano-4H-indene-4-carbonyl chloride, octahydro- (9CI))
100020-95-9 structure
Product Name:1,4-Ethano-4H-indene-4-carbonyl chloride, octahydro- (9CI)
CAS No:100020-95-9
MF:C12H17ClO
MW:212.715782880783
CID:123893
PubChem ID:45081996
Update Time:2025-04-18
1,4-Ethano-4H-indene-4-carbonyl chloride, octahydro- (9CI) Chemical and Physical Properties
Names and Identifiers
-
- 1,4-Ethano-4H-indene-4-carbonyl chloride, octahydro- (9CI)
- 1,4-Ethano-4H-indene-4-carbonylchloride, octahydro-
- DTXSID00665017
- Octahydro-4H-1,4-ethanoindene-4-carbonyl chloride
- 100020-95-9
-
- Inchi： 1S/C12H17ClO/c13-11(14)12-6-1-2-9-8(5-7-12)3-4-10(9)12/h8-10H,1-7H2
- InChI Key： JFDNLCLFCJWMAD-UHFFFAOYSA-N
- SMILES： ClC(C12CCCC3C(CC1)CCC32)=O
Computed Properties
- Exact Mass: 212.09691
- Monoisotopic Mass: 212.097
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 14
- Rotatable Bond Count: 1
- Complexity: 276
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 4
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 4.1
- Topological Polar Surface Area: 17.1A^2
Experimental Properties
- PSA: 17.07
1,4-Ethano-4H-indene-4-carbonyl chloride, octahydro- (9CI) Related Literature
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M. Zeiger,N. J?ckel,P. Strubel,L. Borchardt,R. Reinhold,W. Nickel,J. Eckert,V. Presser,S. Kaskel J. Mater. Chem. A, 2015,3, 17983-17990
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Yaling Zhang,Chunhui Dai,Shiwei Zhou,Bin Liu Chem. Commun., 2018,54, 10092-10095
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Byungho Lim,Jaewon Jin,Jin Yoo,Seung Yong Han,Kyeongyeol Kim,Sungah Kang,Nojin Park,Sang Moon Lee,Hae Jin Kim,Seung Uk Son Chem. Commun., 2014,50, 7723-7726
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Kay S. McMillan,Anthony G. McCluskey,Annette Sorensen,Marie Boyd,Michele Zagnoni Analyst, 2016,141, 100-110
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Abdelaziz Houmam,Emad M. Hamed Chem. Commun., 2012,48, 11328-11330
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