Cas no 66241-39-2 (3-Octanone, 2-chloro-)
3-Octanone, 2-chloro- structure
Product Name:3-Octanone, 2-chloro-
CAS No:66241-39-2
MF:C8H15ClO
MW:162.657101869583
CID:963564
PubChem ID:10975804
Update Time:2025-04-19
3-Octanone, 2-chloro- Chemical and Physical Properties
Names and Identifiers
-
- 3-Octanone, 2-chloro-
- 2-chlorooctan-3-one
- SCHEMBL5423233
- 66241-39-2
- 3-Octanone, 2-chloro-
- DTXSID10450375
-
- Inchi： 1S/C8H15ClO/c1-3-4-5-6-8(10)7(2)9/h7H,3-6H2,1-2H3
- InChI Key： LCBLSOOZKXCJER-UHFFFAOYSA-N
- SMILES： ClC(C)C(CCCCC)=O
Computed Properties
- Exact Mass: 162.0811428g/mol
- Monoisotopic Mass: 162.0811428g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 10
- Rotatable Bond Count: 5
- Complexity: 101
- 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: 2.9
- Topological Polar Surface Area: 17.1?2
3-Octanone, 2-chloro- Related Literature
-
Tengfei Yu,Yuehan Wu,Wei Li,Bin Li RSC Adv., 2014,4, 34134-34143
-
Gloria Belén Ramírez-Rodríguez,José Manuel Delgado-López,Jaime Gómez-Morales CrystEngComm, 2013,15, 2206-2212
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Divya Kamath,Daisuke Minakata Environ. Sci.: Water Res. Technol., 2018,4, 1231-1238
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