Cas no 154136-85-3 (4-Oxazolecarboxaldehyde, 2-(chloromethyl)-)
154136-85-3 structure
Product Name:4-Oxazolecarboxaldehyde, 2-(chloromethyl)-
CAS No:154136-85-3
MF:C5H4ClNO2
MW:145.543760299683
CID:1328735
PubChem ID:55303725
Update Time:2025-04-20
4-Oxazolecarboxaldehyde, 2-(chloromethyl)- Chemical and Physical Properties
Names and Identifiers
-
- 4-Oxazolecarboxaldehyde, 2-(chloromethyl)-
- 2-(chloromethyl)-1,3-oxazole-4-carbaldehyde
- 154136-85-3
- SCHEMBL14071554
- 2-(Chloromethyl)oxazole-4-carbaldehyde
- AKOS006387879
- CS-0529275
- DTXSID10717753
-
- Inchi： 1S/C5H4ClNO2/c6-1-5-7-4(2-8)3-9-5/h2-3H,1H2
- InChI Key： PGYBNLVTUQTSSY-UHFFFAOYSA-N
- SMILES： ClCC1=NC(C=O)=CO1
Computed Properties
- Exact Mass: 144.99312
- Monoisotopic Mass: 144.9930561g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 9
- Rotatable Bond Count: 2
- Complexity: 109
- 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: 0.6
- Topological Polar Surface Area: 43.1?2
Experimental Properties
- PSA: 43.1
4-Oxazolecarboxaldehyde, 2-(chloromethyl)- Related Literature
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Norihito Fukui,Keisuke Fujimoto,Hideki Yorimitsu,Atsuhiro Osuka Dalton Trans., 2017,46, 13322-13341
-
Jason Wan Lab Chip, 2020,20, 4528-4538
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A. B. F. da Silva,K. Capelle Phys. Chem. Chem. Phys., 2009,11, 4564-4569
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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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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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