Cas no 61213-21-6 (2-Pyrrolidinone, 3,3-dichloro-4-(chloromethyl)-1-phenyl-)
61213-21-6 structure
Product Name:2-Pyrrolidinone, 3,3-dichloro-4-(chloromethyl)-1-phenyl-
CAS No:61213-21-6
MF:C11H10Cl3NO
MW:278.562200069427
CID:488068
PubChem ID:13295676
Update Time:2025-04-19
2-Pyrrolidinone, 3,3-dichloro-4-(chloromethyl)-1-phenyl- Chemical and Physical Properties
Names and Identifiers
-
- 2-Pyrrolidinone, 3,3-dichloro-4-(chloromethyl)-1-phenyl-
- 3,3-dichloro-4-(chloromethyl)-1-phenylpyrrolidin-2-one
- 61213-21-6
- DTXSID00535403
- SCHEMBL10988131
-
- Inchi： 1S/C11H10Cl3NO/c12-6-8-7-15(10(16)11(8,13)14)9-4-2-1-3-5-9/h1-5,8H,6-7H2
- InChI Key： FCNLUFGIFVQAAB-UHFFFAOYSA-N
- SMILES： ClC1(C(N(C2C=CC=CC=2)CC1CCl)=O)Cl
Computed Properties
- Exact Mass: 276.983
- Monoisotopic Mass: 276.982797g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 16
- Rotatable Bond Count: 2
- Complexity: 276
- 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: 3.1
- Topological Polar Surface Area: 20.3?2
Experimental Properties
- PSA: 20.31
2-Pyrrolidinone, 3,3-dichloro-4-(chloromethyl)-1-phenyl- Related Literature
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Eric Besson,Stéphane Gastaldi,Emily Bloch,Selma Aslan,Hakim Karoui,Olivier Ouari,Micael Hardy Analyst, 2019,144, 4194-4203
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Zhiyan Chen,Nan Wu,Yaobing Wang,Bing Wang,Yingde Wang J. Mater. Chem. A, 2018,6, 516-526
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Peiyuan Zeng,Xiaoxiao Wang,Ming Ye,Qiuyang Ma,Jianwen Li,Wanwan Wang,Baoyou Geng,Zhen Fang RSC Adv., 2016,6, 23074-23084
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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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Olga Guselnikova,Gérard Audran,Jean-Patrick Joly,Andrii Trelin,Evgeny V. Tretyakov,Vaclav Svorcik,Oleksiy Lyutakov,Sylvain R. A. Marque Chem. Sci., 2021,12, 4154-4161
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