Cas no 68569-32-4 ( )
structure
Product Name:
CAS No:68569-32-4
MF:C9H13ClO
MW:172.651921987534
CID:874581
PubChem ID:18411844
Update Time:2025-04-19
Chemical and Physical Properties
Names and Identifiers
-
- Bicyclo[2.2.2]octane-2-carbonyl chloride (9CI)
- bicyclo[2.2.2]octane-3-carbonyl chloride
- BICYCLO[2.2.2]OCTANE-2-CARBONYL CHLORIDE
- SCHEMBL5724602
- DTXSID30593516
- 2-Bicyclo[2.2.2]octanecarbonyl chloride
- KCWIFWCZCINQMX-UHFFFAOYSA-N
- 68569-32-4
-
-
- Inchi： 1S/C9H13ClO/c10-9(11)8-5-6-1-3-7(8)4-2-6/h6-8H,1-5H2
- InChI Key： KCWIFWCZCINQMX-UHFFFAOYSA-N
- SMILES： ClC(C1CC2CCC1CC2)=O
Computed Properties
- Exact Mass: 172.0654927g/mol
- Monoisotopic Mass: 172.0654927g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 11
- Rotatable Bond Count: 1
- Complexity: 170
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 1
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 3.3
- Topological Polar Surface Area: 17.1?2
Related Literature
-
Alexandre Vimont,Arnaud Travert,Philippe Bazin,Jean-Claude Lavalley,Marco Daturi,Christian Serre,Gérard Férey,Sandrine Bourrelly,Philip L. Llewellyn Chem. Commun., 2007, 3291-3293
-
Hanie Hashtroudi,Ian D. R. Mackinnon J. Mater. Chem. C, 2020,8, 13108-13126
-
Abdelaziz Houmam,Emad M. Hamed Chem. Commun., 2012,48, 11328-11330
-
Maomao Hou,Fenglin Zhong,Qiu Jin,Enjiang Liu,Jie Feng,Tengyun Wang,Yue Gao RSC Adv., 2017,7, 34392-34400
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