Cas no 102393-47-5 (Cyclohexanecarbonylchloride, 3,3-dimethyl-)
102393-47-5 structure
Product Name:Cyclohexanecarbonylchloride, 3,3-dimethyl-
CAS No:102393-47-5
MF:C9H15ClO
MW:174.667802095413
CID:125055
PubChem ID:13597604
Update Time:2025-04-18
Cyclohexanecarbonylchloride, 3,3-dimethyl- Chemical and Physical Properties
Names and Identifiers
-
- Cyclohexanecarbonylchloride, 3,3-dimethyl-
- 3,3-dimethylcyclohexane-1-carbonyl chloride
- Cyclohexanecarbonyl chloride, 3,3-dimethyl- (9CI)
- 102393-47-5
- DTXSID20544678
-
- Inchi： 1S/C9H15ClO/c1-9(2)5-3-4-7(6-9)8(10)11/h7H,3-6H2,1-2H3
- InChI Key： YSYJEQYWWQLAPG-UHFFFAOYSA-N
- SMILES： ClC(C1CCCC(C)(C)C1)=O
Computed Properties
- Exact Mass: 174.08125
- Monoisotopic Mass: 174.0811428g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 11
- Rotatable Bond Count: 1
- Complexity: 163
- 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: 3.5
- Topological Polar Surface Area: 17.1?2
Experimental Properties
- PSA: 17.07
Cyclohexanecarbonylchloride, 3,3-dimethyl- Related Literature
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Xing Zhao,Lu Bai,Rui-Ying Bao,Zheng-Ying Liu,Ming-Bo Yang,Wei Yang RSC Adv., 2017,7, 46297-46305
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Eric Besson,Stéphane Gastaldi,Emily Bloch,Selma Aslan,Hakim Karoui,Olivier Ouari,Micael Hardy Analyst, 2019,144, 4194-4203
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A. B. F. da Silva,K. Capelle Phys. Chem. Chem. Phys., 2009,11, 4564-4569
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Matthew J. Gaunt,Jinquan Yu,Jonathan B. Spencer Chem. Commun., 2001, 1844-1845
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