Cas no 114012-40-7 (2,2-bis(chloromethyl)butanoyl chloride)
114012-40-7 structure
Product Name:2,2-bis(chloromethyl)butanoyl chloride
CAS No:114012-40-7
MF:C6H9Cl3O
MW:203.494059324265
CID:2612137
PubChem ID:14029000
Update Time:2025-04-21
2,2-bis(chloromethyl)butanoyl chloride Chemical and Physical Properties
Names and Identifiers
-
- 2,2-bis(chloromethyl)butanoyl chloride
- 114012-40-7
- SCHEMBL10535138
- DTXSID90554643
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- Inchi： 1S/C6H9Cl3O/c1-2-6(3-7,4-8)5(9)10/h2-4H2,1H3
- InChI Key： SYCZDXISDNISHW-UHFFFAOYSA-N
- SMILES： ClCC(C(=O)Cl)(CCl)CC
Computed Properties
- Exact Mass: 201.971898Da
- Monoisotopic Mass: 201.971898Da
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 10
- Rotatable Bond Count: 4
- Complexity: 120
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 2.6
- Topological Polar Surface Area: 17.1?2
2,2-bis(chloromethyl)butanoyl chloride Related Literature
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Chongyang Zhu,Xiaojia Bian,Xin Jia,Ning Tang,Yongqiang Cheng Food Funct., 2020,11, 10635-10644
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Shivani Sharma,Chia-Ming Wu,Ranjit T. Koodali,N. Rajesh RSC Adv., 2016,6, 26668-26678
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Chandran Rajendran,Govindaswamy Satishkumar,Charlotte Lang,Eric M. Gaigneaux Catal. Sci. Technol., 2020,10, 2583-2592
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Xingjie Wu,Linzhu Zhou,Yue Su,Chang-Ming Dong J. Mater. Chem. B, 2016,4, 2142-2152
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