Cas no 45514-70-3 (1H-Pyrrole-2,5-dione, 1-chloro-)
45514-70-3 structure
Product Name:1H-Pyrrole-2,5-dione, 1-chloro-
CAS No:45514-70-3
MF:C4H2ClNO2
MW:131.517179965973
CID:2828065
PubChem ID:12206259
Update Time:2025-04-21
1H-Pyrrole-2,5-dione, 1-chloro- Chemical and Physical Properties
Names and Identifiers
-
- 45514-70-3
- SCHEMBL138234
- DTXSID40480428
- STL301767
- 1-chloro-1H-pyrrole-2,5-dione
- AKOS022138273
- 1H-Pyrrole-2,5-dione, 1-chloro-
-
- Inchi： 1S/C4H2ClNO2/c5-6-3(7)1-2-4(6)8/h1-2H
- InChI Key： UXHPQGFOYQBTAU-UHFFFAOYSA-N
- SMILES： ClN1C(C=CC1=O)=O
Computed Properties
- Exact Mass: 130.9774060g/mol
- Monoisotopic Mass: 130.9774060g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 8
- Rotatable Bond Count: 0
- Complexity: 157
- 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: 0.1
- Topological Polar Surface Area: 37.4?2
1H-Pyrrole-2,5-dione, 1-chloro- Related Literature
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Max Attwood,Hiroki Akutsu,Lee Martin,Toby J. Blundell,Pierre Le Maguere,Scott S. Turner Dalton Trans., 2021,50, 11843-11851
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Qiao Song,Angela Bamesberger,Lingyun Yang,Haley Houtwed,Haishi Cao Analyst, 2014,139, 3588-3592
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Ji-Ping Wei Nanoscale, 2015,7, 11815-11832
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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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Partha Laskar,Christine Dufès Nanoscale Adv., 2021,3, 6007-6026
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