Cas no 53813-78-8 (2-Methylpropyl carbonofluoridate)
53813-78-8 structure
Product Name:2-Methylpropyl carbonofluoridate
CAS No:53813-78-8
MF:C5H9FO2
MW:120.122165441513
CID:2830938
PubChem ID:12545974
Update Time:2025-04-21
2-Methylpropyl carbonofluoridate Chemical and Physical Properties
Names and Identifiers
-
- 2-Methylpropyl carbonofluoridate
- 2-methylpropyl fluoroformate
- DTXSID00502054
- 53813-78-8
- DTXCID60452864
-
- Inchi： 1S/C5H9FO2/c1-4(2)3-8-5(6)7/h4H,3H2,1-2H3
- InChI Key： ZEZLBMOADGWUOP-UHFFFAOYSA-N
- SMILES： FC(=O)OCC(C)C
Computed Properties
- Exact Mass: 120.05865769g/mol
- Monoisotopic Mass: 120.05865769g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 8
- Rotatable Bond Count: 3
- Complexity: 80.5
- 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: 2.3
- Topological Polar Surface Area: 26.3?2
2-Methylpropyl carbonofluoridate Related Literature
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Zhixia Liu,Tingjian Chen,Floyd E. Romesberg Chem. Sci., 2017,8, 8179-8182
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Marcin Czapla,Jack Simons Phys. Chem. Chem. Phys., 2018,20, 21739-21745
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Xinhuan Wang,Shuangfei Cai,Cui Qi Analyst, 2017,142, 2500-2506
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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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