Cas no 88115-30-4 (Butanoyl chloride, 4-chloro-2-ethyl-)
88115-30-4 structure
Product Name:Butanoyl chloride, 4-chloro-2-ethyl-
CAS No:88115-30-4
MF:C6H10Cl2O
MW:169.049000263214
CID:644520
PubChem ID:71410756
Update Time:2025-04-19
Butanoyl chloride, 4-chloro-2-ethyl- Chemical and Physical Properties
Names and Identifiers
-
- Butanoyl chloride, 4-chloro-2-ethyl-
- 4-chloro-2-ethylbutanoyl chloride
- DTXSID10830416
- 88115-30-4
- SCHEMBL11210853
-
- Inchi： 1S/C6H10Cl2O/c1-2-5(3-4-7)6(8)9/h5H,2-4H2,1H3
- InChI Key： XXKBCTFARZSEHZ-UHFFFAOYSA-N
- SMILES： ClCCC(C(=O)Cl)CC
Computed Properties
- Exact Mass: 168.0108703g/mol
- 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: 2.6
- Topological Polar Surface Area: 17.1?2
Butanoyl chloride, 4-chloro-2-ethyl- Related Literature
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Hongxia Li,Aikifa Raza,Qiaoyu Ge,Jin-You Lu,TieJun Zhang Soft Matter, 2020,16, 6841-6849
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J. Matthew Kurley,Phillip W. Halstenberg,Abbey McAlister,Stephen Raiman,Richard T. Mayes RSC Adv., 2019,9, 25602-25608
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Fereshteh Bayat Environ. Sci.: Nano, 2021,8, 367-389
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Alena Koukalová,?árka Pokorná,Aimee L. Boyle,Nestor Lopez Mora,Alexander Kros,Martin Hof,Radek ?achl Nanoscale, 2018,10, 19064-19073
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