Cas no 230630-82-7 (3-allyl-6-chloropyrimidine-2,4(1H,3H)-dione)
230630-82-7 structure
Product Name:3-allyl-6-chloropyrimidine-2,4(1H,3H)-dione
CAS No:230630-82-7
MF:C7H7ClN2O2
MW:186.595680475235
CID:1109468
PubChem ID:10607612
Update Time:2025-04-20
3-allyl-6-chloropyrimidine-2,4(1H,3H)-dione Chemical and Physical Properties
Names and Identifiers
-
- 3-allyl-6-chloropyrimidine-2,4(1H,3H)-dione
- DA-07886
- 230630-82-7
- SCHEMBL7964576
-
- Inchi: 1S/C7H7ClN2O2/c1-2-3-10-6(11)4-5(8)9-7(10)12/h2,4H,1,3H2,(H,9,12)
- InChI Key: FKNJRHRZTARNIS-UHFFFAOYSA-N
- SMILES: ClC1=CC(N(C(N1)=O)CC=C)=O
Computed Properties
- Exact Mass: 186.0196052g/mol
- Monoisotopic Mass: 186.0196052g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 12
- Rotatable Bond Count: 2
- Complexity: 273
- 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: 0.7
- Topological Polar Surface Area: 49.4?2
3-allyl-6-chloropyrimidine-2,4(1H,3H)-dione Related Literature
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Haitao Li,Yu Pan,Zhizhi Wang,Shan Chen,Ruixin Guo,Jianqiu Chen RSC Adv., 2015,5, 100775-100782
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Andre Prates Pereira,Tao Dong,Eric P. Knoshaug,Nick Nagle,Ryan Spiller,Bonnie Panczak,Christopher J. Chuck,Philip T. Pienkos Sustainable Energy Fuels, 2020,4, 3400-3408
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Inês S. Albuquerque,Hélia F. Jeremias,Miguel Chaves-Ferreira,Dijana Matak-Vinkovic,Omar Boutureira,Carlos C. Rom?o Chem. Commun., 2015,51, 3993-3996
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Eunhak Lim,Jiyoung Heo,Seong Keun Kim Nanoscale, 2019,11, 11369-11378
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