Cas no 98062-39-6 (2-Pyrrolidinecarbonitrile,1-(2-chloroacetyl)-5-oxo-)
98062-39-6 structure
Product Name:2-Pyrrolidinecarbonitrile,1-(2-chloroacetyl)-5-oxo-
CAS No:98062-39-6
MF:C7H7ClN2O2
MW:186.595680475235
CID:801564
PubChem ID:13470507
Update Time:2025-04-19
2-Pyrrolidinecarbonitrile,1-(2-chloroacetyl)-5-oxo- Chemical and Physical Properties
Names and Identifiers
-
- 2-Pyrrolidinecarbonitrile,1-(2-chloroacetyl)-5-oxo-
- 1-(2-chloroacetyl)-5-oxopyrrolidine-2-carbonitrile
- 2-Pyrrolidinecarbonitrile, 1-(chloroacetyl)-5-oxo- (9CI)
- 1-(Chloroacetyl)-5-oxopyrrolidine-2-carbonitrile
- DTXSID70541652
- 98062-39-6
-
- Inchi： 1S/C7H7ClN2O2/c8-3-7(12)10-5(4-9)1-2-6(10)11/h5H,1-3H2
- InChI Key： ODXHTTDMDVGPCD-UHFFFAOYSA-N
- SMILES： ClCC(N1C(CCC1C#N)=O)=O
Computed Properties
- Exact Mass: 186.0196052g/mol
- Monoisotopic Mass: 186.0196052g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 12
- Rotatable Bond Count: 1
- Complexity: 268
- 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: 0
- Topological Polar Surface Area: 61.2?2
2-Pyrrolidinecarbonitrile,1-(2-chloroacetyl)-5-oxo- Related Literature
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Huiying Xu,Lu Zheng,Yu Zhou,Bang-Ce Ye Analyst, 2021,146, 5542-5549
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2. An autonomous self-optimizing flow machine for the synthesis of pyridine–oxazoline (PyOX) ligands?Eric Wimmer,Daniel Cortés-Borda,Solène Brochard,Elvina Barré,Charlotte Truchet,Fran?ois-Xavier Felpin React. Chem. Eng., 2019,4, 1608-1615
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Ravi Kumar Yadav,R. Govindaraj Phys. Chem. Chem. Phys., 2020,22, 26876-26886
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Jialiang Yuan,Ran Dong,Yuan Li,Yang Liu,Zhuo Zheng,Yuxia Liu,Yan Sun,Benhe Zhong,Zhenguo Wu,Xiaodong Guo Chem. Commun., 2021,57, 13004-13007
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