Cas no 87569-05-9 (Butanoyl chloride, 2,3,3-trimethyl-, (S)-)
87569-05-9 structure
Product Name:Butanoyl chloride, 2,3,3-trimethyl-, (S)-
CAS No:87569-05-9
MF:C7H13ClO
MW:148.630521535873
CID:655056
PubChem ID:12547646
Update Time:2025-04-19
Butanoyl chloride, 2,3,3-trimethyl-, (S)- Chemical and Physical Properties
Names and Identifiers
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- Butanoyl chloride, 2,3,3-trimethyl-, (S)-
- 87569-05-9
- DTXSID30502123
- (2S)-2,3,3-Trimethylbutanoyl chloride
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- Inchi： 1S/C7H13ClO/c1-5(6(8)9)7(2,3)4/h5H,1-4H3/t5-/m1/s1
- InChI Key： SXJYIEBMAQEWPK-RXMQYKEDSA-N
- SMILES： ClC([C@@H](C)C(C)(C)C)=O
Computed Properties
- Exact Mass: 148.0654927g/mol
- Monoisotopic Mass: 148.0654927g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 9
- Rotatable Bond Count: 2
- Complexity: 113
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 1
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 3
- Topological Polar Surface Area: 17.1?2
Butanoyl chloride, 2,3,3-trimethyl-, (S)- Related Literature
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Erika A. Cobar,Paul R. Horn,Robert G. Bergman,Martin Head-Gordon Phys. Chem. Chem. Phys., 2012,14, 15328-15339
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Kay S. McMillan,Anthony G. McCluskey,Annette Sorensen,Marie Boyd,Michele Zagnoni Analyst, 2016,141, 100-110
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Vishwesh Venkatraman,Marco Foscato,Vidar R. Jensen,Bj?rn K?re Alsberg J. Mater. Chem. A, 2015,3, 9851-9860
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Andreas Nenning,Manuel Holzmann,Jürgen Fleig,Alexander K. Opitz Mater. Adv., 2021,2, 5422-5431
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Maomao Hou,Fenglin Zhong,Qiu Jin,Enjiang Liu,Jie Feng,Tengyun Wang,Yue Gao RSC Adv., 2017,7, 34392-34400
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