Cas no 62721-36-2 (Pentanoyl chloride, 2-chloro-3-methyl-)
62721-36-2 structure
Product Name:Pentanoyl chloride, 2-chloro-3-methyl-
CAS No:62721-36-2
MF:C6H10Cl2O
MW:169.049000263214
CID:434161
PubChem ID:13651107
Update Time:2025-04-19
Pentanoyl chloride, 2-chloro-3-methyl- Chemical and Physical Properties
Names and Identifiers
-
- Pentanoyl chloride, 2-chloro-3-methyl-
- A833951
- SCHEMBL9405651
- 2-chloranyl-3-methyl-pentanoyl chloride
- 62721-36-2
- 2-CHLORO-3-METHYLPENTANOYL CHLORIDE
-
- Inchi： 1S/C6H10Cl2O/c1-3-4(2)5(7)6(8)9/h4-5H,3H2,1-2H3
- InChI Key： YFBCWZCPUJHDDS-UHFFFAOYSA-N
- SMILES： ClC(C(=O)Cl)C(C)CC
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: 3
- Complexity: 103
- 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: 3.1
- Topological Polar Surface Area: 17.1?2
Experimental Properties
- PSA: 17.07
Pentanoyl chloride, 2-chloro-3-methyl- Related Literature
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Xingqun Zheng,Lele Song,Xin Feng,Li Li,Zidong Wei J. Mater. Chem. A, 2020,8, 14145-14151
-
Max Attwood,Hiroki Akutsu,Lee Martin,Toby J. Blundell,Pierre Le Maguere,Scott S. Turner Dalton Trans., 2021,50, 11843-11851
-
Chao-Han Cheng,Wen-Zhen Wang,Shie-Ming Peng,I-Chia Chen Phys. Chem. Chem. Phys., 2017,19, 25471-25477
-
Shaun D. Wong,Edward I. Solomon Dalton Trans., 2014,43, 17567-17577
-
Yong Ping Huang,Tao Tao,Zheng Chen,Wei Han,Ying Wu,Chunjiang Kuang,Shaoxiong Zhou,Ying Chen J. Mater. Chem. A, 2014,2, 18831-18837
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