Cas no 20401-33-6 (2,4,6-Trichloro-5-pyrimidineacetic acid)
20401-33-6 structure
Product Name:2,4,6-Trichloro-5-pyrimidineacetic acid
CAS No:20401-33-6
MF:C6H3Cl3N2O2
MW:241.459218263626
CID:254026
PubChem ID:3621135
Update Time:2023-10-30
2,4,6-Trichloro-5-pyrimidineacetic acid Chemical and Physical Properties
Names and Identifiers
-
- 2,4,6-Trichloro-5-pyrimidineacetic acid
- 5-Pyrimidineaceticacid, 2,4,6-trichloro-
- (2,4,6-trichloropyrimidin-5-yl)acetic acid
- AC1MUNDW
- AG-E-49541
- AK-45525
- CTK1A1658
- SCHEMBL11241934
- 5-Pyrimidineaceticacid,2,4,6-trichloro-
- 2-(2,4,6-trichloropyrimidin-5-yl)acetic Acid
- 20401-33-6
-
- Inchi： 1S/C6H3Cl3N2O2/c7-4-2(1-3(12)13)5(8)11-6(9)10-4/h1H2,(H,12,13)
- InChI Key： JLBBIHWKLIVGRP-UHFFFAOYSA-N
- SMILES： ClC1C(=C(N=C(N=1)Cl)Cl)CC(=O)O
Computed Properties
- Exact Mass: 239.92619
- Monoisotopic Mass: 239.926
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 13
- Rotatable Bond Count: 2
- Complexity: 192
- 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: 2.5
- Topological Polar Surface Area: 63.1?2
Experimental Properties
- PSA: 63.08
2,4,6-Trichloro-5-pyrimidineacetic acid Related Literature
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Bo Cao,Yin Wei Chem. Commun., 2018,54, 2870-2873
-
3. An autonomous self-optimizing flow machine for the synthesis of pyridine–oxazoline (PyOX) ligands?Eric Wimmer,Daniel Cortés-Borda,Solène Brochard,Elvina Barré,Charlotte Truchet,Fran?ois-Xavier Felpin React. Chem. Eng., 2019,4, 1608-1615
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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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5. An integrated chip for immunofluorescence and its application to analyze lysosomal storage disordersJie Shen,Ying Zhou,Tu Lu,Junya Peng,Zhixiang Lin,Yuhong Pang,Li Yu Lab Chip, 2012,12, 317-324
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