Cas no 22605-65-8 (1,3-Cyclohexanedicarbonyl dichloride, cis- (8CI,9CI))
22605-65-8 structure
Product Name:1,3-Cyclohexanedicarbonyl dichloride, cis- (8CI,9CI)
CAS No:22605-65-8
MF:C8H10Cl2O2
MW:209.069800853729
CID:250962
PubChem ID:57357764
Update Time:2025-04-19
1,3-Cyclohexanedicarbonyl dichloride, cis- (8CI,9CI) Chemical and Physical Properties
Names and Identifiers
-
- 1,3-Cyclohexanedicarbonyl dichloride, cis- (8CI,9CI)
- 22605-65-8
- SCHEMBL16941963
- DTXSID80723841
- (1R,3S)-Cyclohexane-1,3-dicarbonyl dichloride
-
- Inchi： 1S/C8H10Cl2O2/c9-7(11)5-2-1-3-6(4-5)8(10)12/h5-6H,1-4H2/t5-,6+
- InChI Key： WLPXOECYEATUCV-OLQVQODUSA-N
- SMILES： ClC([C@H]1CCC[C@@H](C(=O)Cl)C1)=O
Computed Properties
- Exact Mass: 208.0059
- Monoisotopic Mass: 208.0057849g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 12
- Rotatable Bond Count: 2
- Complexity: 183
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 2
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 2.6
- Topological Polar Surface Area: 34.1?2
Experimental Properties
- PSA: 34.14
1,3-Cyclohexanedicarbonyl dichloride, cis- (8CI,9CI) Related Literature
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Yi Cao,Yujiao Xiahou,Lixiang Xing,Xiang Zhang,Hong Li,ChenShou Wu,Haibing Xia Nanoscale, 2020,12, 20456-20466
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Domenico Lombardo,Gianmarco Munaò,Pietro Calandra,Luigi Pasqua,Maria Teresa Caccamo Phys. Chem. Chem. Phys., 2019,21, 11983-11991
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Vitaly Gurylev,Chung-Yi Su,Tsong-Pyng Perng Phys. Chem. Chem. Phys., 2016,18, 16033-16038
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Manickam Bakthadoss,Tadiparthi Thirupathi Reddy,Vishal Agarwal,Duddu S. Sharada Chem. Commun., 2022,58, 1406-1409
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Zhiyan Chen,Nan Wu,Yaobing Wang,Bing Wang,Yingde Wang J. Mater. Chem. A, 2018,6, 516-526
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