Cas no 59068-26-7 (Pentanoyl chloride, 5-chloro-3-methyl-)
59068-26-7 structure
Product Name:Pentanoyl chloride, 5-chloro-3-methyl-
CAS No:59068-26-7
MF:C6H10Cl2O
MW:169.049000263214
CID:339971
PubChem ID:21919477
Update Time:2025-04-19
Pentanoyl chloride, 5-chloro-3-methyl- Chemical and Physical Properties
Names and Identifiers
-
- Pentanoyl chloride, 5-chloro-3-methyl-
- 5-chloro-3-methylpentanoyl chloride
- DTXSID50620095
- SCHEMBL3383987
- 59068-26-7
- AKOS006382397
-
- Inchi： 1S/C6H10Cl2O/c1-5(2-3-7)4-6(8)9/h5H,2-4H2,1H3
- InChI Key： KBOGMBQWZCIHNQ-UHFFFAOYSA-N
- SMILES： ClCCC(C)CC(=O)Cl
Computed Properties
- Exact Mass: 168.011
- Monoisotopic Mass: 168.0108703g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 9
- Rotatable Bond Count: 4
- Complexity: 93.1
- 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: 2.4
- Topological Polar Surface Area: 17.1?2
Experimental Properties
- PSA: 17.07
Pentanoyl chloride, 5-chloro-3-methyl- Related Literature
-
Matthew J. Gaunt,Jinquan Yu,Jonathan B. Spencer Chem. Commun., 2001, 1844-1845
-
Zhiyan Chen,Nan Wu,Yaobing Wang,Bing Wang,Yingde Wang J. Mater. Chem. A, 2018,6, 516-526
-
Congyu Li,Wenfu Wang,Haiyan Wang,Guokai Yan,Weiyang Dong,Zhaosheng Chu,Huan Wang,Yang Chang RSC Adv., 2021,11, 26721-26731
-
Shun-Ze Zhan,Mian Li,Xiao-Ping Zhou,Dan Li,Seik Weng Ng RSC Adv., 2011,1, 1457-1459
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