Cas no 933686-05-6 (4-chloro-2-methylpyrimidine-5-carbaldehyde)
933686-05-6 structure
Product Name:4-chloro-2-methylpyrimidine-5-carbaldehyde
CAS No:933686-05-6
MF:C6H5ClN2O
MW:156.56970000267
CID:999606
PubChem ID:18987865
Update Time:2025-04-20
4-chloro-2-methylpyrimidine-5-carbaldehyde Chemical and Physical Properties
Names and Identifiers
-
- 4-chloro-2-methylpyrimidine-5-carbaldehyde
- 5-Pyrimidinecarboxaldehyde, 4-chloro-2-methyl-
- DTXSID20597164
- SB56743
- 933686-05-6
- AMY15869
- SCHEMBL5674156
-
- Inchi： 1S/C6H5ClN2O/c1-4-8-2-5(3-10)6(7)9-4/h2-3H,1H3
- InChI Key： JRFCTRWWFYVARW-UHFFFAOYSA-N
- SMILES： ClC1=C(C=O)C=NC(C)=N1
Computed Properties
- Exact Mass: 156.00900
- Monoisotopic Mass: 156.0090405g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 10
- Rotatable Bond Count: 1
- Complexity: 131
- 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: 1
- Topological Polar Surface Area: 42.8?2
Experimental Properties
- PSA: 42.85000
- LogP: 1.25090
4-chloro-2-methylpyrimidine-5-carbaldehyde Related Literature
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Aloke Das,K. K. Mahato,Chayan K. Nandi,Tapas Chakraborty,Shridhar R. Gadre,Nikhil A. Gokhale Phys. Chem. Chem. Phys., 2002,4, 2162-2168
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Zhixia Liu,Tingjian Chen,Floyd E. Romesberg Chem. Sci., 2017,8, 8179-8182
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Marcin Czapla,Jack Simons Phys. Chem. Chem. Phys., 2018,20, 21739-21745
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Huading Zhang,Lee R. Moore,Maciej Zborowski,P. Stephen Williams,Shlomo Margel,Jeffrey J. Chalmers Analyst, 2005,130, 514-527
933686-05-6 (4-chloro-2-methylpyrimidine-5-carbaldehyde) Related Products
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