Cas no 51417-65-3 (Bicyclo[2.2.1]heptan-2-one, 1-chloro-)
![Bicyclo[2.2.1]heptan-2-one, 1-chloro- structure](https://ossimg.kuujia.com/scimg/51500/51417-65-3x500.png)
51417-65-3 structure
Product Name:Bicyclo[2.2.1]heptan-2-one, 1-chloro-
CAS No:51417-65-3
MF:C7H9ClO
MW:144.598761320114
CID:362340
PubChem ID:21675047
Update Time:2025-04-19
Bicyclo[2.2.1]heptan-2-one, 1-chloro- Chemical and Physical Properties
Names and Identifiers
-
- Bicyclo[2.2.1]heptan-2-one, 1-chloro-
- SCHEMBL1334783
- 1-Chlorobicyclo[2.2.1]heptan-2-one
- 51417-65-3
- DTXSID40616740
- InChI=1/C7H9ClO/c8-7-2-1-5(4-7)3-6(7)9/h5H,1-4H
-
- Inchi： 1S/C7H9ClO/c8-7-2-1-5(4-7)3-6(7)9/h5H,1-4H2
- InChI Key： NKJJAPIGFNBSKB-UHFFFAOYSA-N
- SMILES： ClC12C(CC(CC1)C2)=O
Computed Properties
- Exact Mass: 144.03427
- Monoisotopic Mass: 144.0341926g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 9
- Rotatable Bond Count: 0
- Complexity: 166
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 2
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 1.3
- Topological Polar Surface Area: 17.1?2
Experimental Properties
- PSA: 17.07
Bicyclo[2.2.1]heptan-2-one, 1-chloro- Related Literature
-
Huabin Zhang,Shaowu Du CrystEngComm, 2014,16, 4059-4068
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Siquan Zhang,Shengyao Wang,Liping Guo,Hao Chen,Bien Tan,Shangbin Jin J. Mater. Chem. C, 2020,8, 192-200
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Robert J. Meagher,Anson V. Hatch,Ronald F. Renzi,Anup K. Singh Lab Chip, 2008,8, 2046-2053
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