Cas no 481667-42-9 (5-carboxy-2-chloromethyloxazole)
481667-42-9 structure
Product Name:5-carboxy-2-chloromethyloxazole
CAS No:481667-42-9
MF:C5H4ClNO3
MW:161.543160438538
CID:2124876
PubChem ID:19427228
Update Time:2025-04-21
5-carboxy-2-chloromethyloxazole Chemical and Physical Properties
Names and Identifiers
-
- 5-carboxy-2-chloromethyloxazole
- 2-(chloromethyl)-1,3-oxazole-5-carboxylic acid
- AKOS006384929
- DB-340833
- 2-(Chloromethyl)oxazole-5-carboxylic acid
- DTXSID00598735
- 481667-42-9
- 2-Chloromethyl-oxazole-5-carboxylic acid
- SCHEMBL2317970
- FDMVPYKXVRGUHJ-UHFFFAOYSA-N
-
- Inchi： 1S/C5H4ClNO3/c6-1-4-7-2-3(10-4)5(8)9/h2H,1H2,(H,8,9)
- InChI Key： FDMVPYKXVRGUHJ-UHFFFAOYSA-N
- SMILES： ClCC1=NC=C(C(=O)O)O1
Computed Properties
- Exact Mass: 160.9879707g/mol
- Monoisotopic Mass: 160.9879707g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 10
- Rotatable Bond Count: 2
- Complexity: 141
- 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: 63.3?2
5-carboxy-2-chloromethyloxazole Related Literature
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Suji Lee,Min Su Han Chem. Commun., 2021,57, 9450-9453
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Kathrin Kutlescha,Rhett Kempe New J. Chem., 2010,34, 1954-1960
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Juan J. Sánchez,Miguel López-Haro,Juan C. Hernández-Garrido,Ginesa Blanco,Miguel A. Cauqui,José M. Rodríguez-Izquierdo,José A. Pérez-Omil,José J. Calvino,María P. Yeste J. Mater. Chem. A, 2019,7, 8993-9003
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Xiang Liu,Qian Sun,A. B. Djuri?i?,Maohai Xie,Baohu Dai,Jinyao Tang,Charles Surya,Changzhong Liao,Kaimin Shih RSC Adv., 2015,5, 100783-100789
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P. K. Wawrzyniak,M. T. P. Beerepoot,H. J. M. de Groot,F. Buda Phys. Chem. Chem. Phys., 2011,13, 10270-10279
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