Cas no 85525-26-4 (Butyl 4-chloro-3-oxobutanoate)
Butyl 4-chloro-3-oxobutanoate structure
Product Name:Butyl 4-chloro-3-oxobutanoate
CAS No:85525-26-4
MF:C8H13ClO3
MW:192.640022039413
CID:2807869
PubChem ID:13705501
Update Time:2025-04-21
Butyl 4-chloro-3-oxobutanoate Chemical and Physical Properties
Names and Identifiers
-
- DTXSID10547214
- 85525-26-4
- Butyl 4-chloro-3-oxobutanoate
- DB-429582
- n-butyl 4-chloroacetoacetate
- KARCVSXXFQZRRC-UHFFFAOYSA-N
- SCHEMBL8970374
- n-butyl-4-chloroacetoacetate
-
- Inchi： 1S/C8H13ClO3/c1-2-3-4-12-8(11)5-7(10)6-9/h2-6H2,1H3
- InChI Key： KARCVSXXFQZRRC-UHFFFAOYSA-N
- SMILES： ClCC(CC(=O)OCCCC)=O
Computed Properties
- Exact Mass: 192.0553220Da
- Monoisotopic Mass: 192.0553220Da
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 12
- Rotatable Bond Count: 7
- Complexity: 156
- 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: 1.8
- Topological Polar Surface Area: 43.4?2
Butyl 4-chloro-3-oxobutanoate Related Literature
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Bo Cao,Yin Wei Chem. Commun., 2018,54, 2870-2873
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Chandran Rajendran,Govindaswamy Satishkumar,Charlotte Lang,Eric M. Gaigneaux Catal. Sci. Technol., 2020,10, 2583-2592
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Huiying Xu,Lu Zheng,Yu Zhou,Bang-Ce Ye Analyst, 2021,146, 5542-5549
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Robert J. Meagher,Anson V. Hatch,Ronald F. Renzi,Anup K. Singh Lab Chip, 2008,8, 2046-2053
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Huabin Zhang,Shaowu Du CrystEngComm, 2014,16, 4059-4068
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