Cas no 89765-30-0 (2-Pentanone, 3-(4-chlorophenyl)-3-methyl-)
89765-30-0 structure
Product Name:2-Pentanone, 3-(4-chlorophenyl)-3-methyl-
CAS No:89765-30-0
MF:C12H15ClO
MW:210.699902772903
CID:589735
PubChem ID:21269881
Update Time:2025-04-19
2-Pentanone, 3-(4-chlorophenyl)-3-methyl- Chemical and Physical Properties
Names and Identifiers
-
- 2-Pentanone, 3-(4-chlorophenyl)-3-methyl-
- 3-(4-chlorophenyl)-3-methylpentan-2-one
- 89765-30-0
- DTXSID50611822
- WIDQKFQRJJNJDH-UHFFFAOYSA-N
- 3-(4-Chlorophenyl)-3-methyl-2-pentanone
- SCHEMBL3410686
-
- Inchi: 1S/C12H15ClO/c1-4-12(3,9(2)14)10-5-7-11(13)8-6-10/h5-8H,4H2,1-3H3
- InChI Key: WIDQKFQRJJNJDH-UHFFFAOYSA-N
- SMILES: ClC1C=CC(=CC=1)C(C(C)=O)(C)CC
Computed Properties
- Exact Mass: 210.0811428g/mol
- Monoisotopic Mass: 210.0811428g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 14
- Rotatable Bond Count: 3
- Complexity: 206
- 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
2-Pentanone, 3-(4-chlorophenyl)-3-methyl- Related Literature
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Norihito Fukui,Keisuke Fujimoto,Hideki Yorimitsu,Atsuhiro Osuka Dalton Trans., 2017,46, 13322-13341
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Tao Wang,Yangyang Liu,Yue Deng,Hongbo Fu,Jianmin Chen Environ. Sci.: Nano, 2018,5, 1821-1833
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Huading Zhang,Lee R. Moore,Maciej Zborowski,P. Stephen Williams,Shlomo Margel,Jeffrey J. Chalmers Analyst, 2005,130, 514-527
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Tengfei Yu,Yuehan Wu,Wei Li,Bin Li RSC Adv., 2014,4, 34134-34143
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Xinhuan Wang,Shuangfei Cai,Cui Qi Analyst, 2017,142, 2500-2506
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