Cas no 98298-67-0 (1-Chloropropyl ethyl carbonate)
98298-67-0 structure
Product Name:1-Chloropropyl ethyl carbonate
CAS No:98298-67-0
MF:C6H11ClO3
MW:166.602741479874
CID:2820710
PubChem ID:71331972
Update Time:2025-04-21
1-Chloropropyl ethyl carbonate Chemical and Physical Properties
Names and Identifiers
-
- SCHEMBL11235344
- 98298-67-0
- DTXSID30760488
- 1-Chloropropyl ethyl carbonate
-
- Inchi: 1S/C6H11ClO3/c1-3-5(7)10-6(8)9-4-2/h5H,3-4H2,1-2H3
- InChI Key: MOMCJORYOHUFQD-UHFFFAOYSA-N
- SMILES: ClC(CC)OC(=O)OCC
Computed Properties
- Exact Mass: 166.0396719Da
- Monoisotopic Mass: 166.0396719Da
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 10
- Rotatable Bond Count: 5
- Complexity: 105
- 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: 2.5
- Topological Polar Surface Area: 35.5?2
1-Chloropropyl ethyl carbonate Related Literature
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Norihito Fukui,Keisuke Fujimoto,Hideki Yorimitsu,Atsuhiro Osuka Dalton Trans., 2017,46, 13322-13341
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Chao-Han Cheng,Wen-Zhen Wang,Shie-Ming Peng,I-Chia Chen Phys. Chem. Chem. Phys., 2017,19, 25471-25477
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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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