Cas no 811450-47-2 (Pyrimidine, 2-chloro-4-(1-propynyl)-)
811450-47-2 structure
Product Name:Pyrimidine, 2-chloro-4-(1-propynyl)-
CAS No:811450-47-2
MF:C7H5ClN2
MW:152.581000089645
CID:704455
PubChem ID:55276907
Update Time:2025-04-19
Pyrimidine, 2-chloro-4-(1-propynyl)- Chemical and Physical Properties
Names and Identifiers
-
- Pyrimidine, 2-chloro-4-(1-propynyl)-
- 2-CHLORO-4-(PROP-1-YNYL)PYRIMIDINE
- 2-chloro-4-prop-1-ynylpyrimidine
- DTXSID20717264
- AB52922
- AKOS006328095
- SCHEMBL13138542
- 811450-47-2
- 2-CHLORO-4-(PROP-1-YN-1-YL)PYRIMIDINE
-
- Inchi: 1S/C7H5ClN2/c1-2-3-6-4-5-9-7(8)10-6/h4-5H,1H3
- InChI Key: KRVODAFIAJQTMF-UHFFFAOYSA-N
- SMILES: ClC1=NC=CC(C#CC)=N1
Computed Properties
- Exact Mass: 152.014
- Monoisotopic Mass: 152.014
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 10
- Rotatable Bond Count: 1
- Complexity: 167
- 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
- Topological Polar Surface Area: 25.8A^2
- XLogP3: 2
Pyrimidine, 2-chloro-4-(1-propynyl)- Related Literature
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Abdelaziz Houmam,Emad M. Hamed Chem. Commun., 2012,48, 11328-11330
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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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Chung-Sung Yang,Mong-Shian Shih,Fang-Yi Chang New J. Chem., 2006,30, 729-735
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Thi Thu Tram Nguyen,Thanh Binh Nguyen Org. Biomol. Chem., 2021,19, 6015-6020
811450-47-2 (Pyrimidine, 2-chloro-4-(1-propynyl)-) Related Products
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