Cas no 83959-33-5 (3-Buten-2-one, 1,1,4-trichloro-)
83959-33-5 structure
Product Name:3-Buten-2-one, 1,1,4-trichloro-
CAS No:83959-33-5
MF:C4H3Cl3O
MW:173.425018548965
CID:668182
PubChem ID:71414817
Update Time:2025-04-19
3-Buten-2-one, 1,1,4-trichloro- Chemical and Physical Properties
Names and Identifiers
-
- 3-Buten-2-one, 1,1,4-trichloro-
- 1,1,4-trichlorobut-3-en-2-one
- PVTFYUFIJCGAKB-UHFFFAOYSA-N
- 1,1,4-trichloro-3-buten-2-one
- DTXSID30834254
- 2-chlorovinyl dichloromethyl ketone
- 83959-33-5
-
- Inchi： 1S/C4H3Cl3O/c5-2-1-3(8)4(6)7/h1-2,4H
- InChI Key： PVTFYUFIJCGAKB-UHFFFAOYSA-N
- SMILES： ClC(C(C=CCl)=O)Cl
Computed Properties
- Exact Mass: 171.924948g/mol
- Monoisotopic Mass: 171.924948g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 8
- Rotatable Bond Count: 2
- Complexity: 108
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 1
- XLogP3: 2.2
- Topological Polar Surface Area: 17.1?2
3-Buten-2-one, 1,1,4-trichloro- Related Literature
-
Tao Wang,Yangyang Liu,Yue Deng,Hongbo Fu,Jianmin Chen Environ. Sci.: Nano, 2018,5, 1821-1833
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Fereshteh Bayat Environ. Sci.: Nano, 2021,8, 367-389
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David White,Sean R. Stowell Biomater. Sci., 2017,5, 463-474
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Gaurav J. Shah,Eric P.-Y. Chiou,Ming C. Wu,Chang-Jin “CJ” Kim Lab Chip, 2009,9, 1732-1739
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