Cas no 630116-36-8 (Acetamide, 2-chloro-N-(4-fluoro-3-methylphenyl)-)
630116-36-8 structure
Product Name:Acetamide, 2-chloro-N-(4-fluoro-3-methylphenyl)-
CAS No:630116-36-8
MF:C9H9ClFNO
MW:201.625264883041
CID:427687
PubChem ID:16495559
Update Time:2025-04-19
Acetamide, 2-chloro-N-(4-fluoro-3-methylphenyl)- Chemical and Physical Properties
Names and Identifiers
-
- Acetamide, 2-chloro-N-(4-fluoro-3-methylphenyl)-
- 2-chloro-N-(4-fluoro-3-methylphenyl)acetamide
- Z1021301390
- 630116-36-8
- AKOS000103078
- SCHEMBL4010685
- DTXSID60586214
-
- Inchi： 1S/C9H9ClFNO/c1-6-4-7(2-3-8(6)11)12-9(13)5-10/h2-4H,5H2,1H3,(H,12,13)
- InChI Key： BYVJCTHTXAPDGO-UHFFFAOYSA-N
- SMILES： ClCC(NC1C=CC(=C(C)C=1)F)=O
Computed Properties
- Exact Mass: 201.03577
- Monoisotopic Mass: 201.0356698g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 13
- Rotatable Bond Count: 2
- Complexity: 189
- 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: 2.8
- Topological Polar Surface Area: 29.1?2
Experimental Properties
- PSA: 29.1
Acetamide, 2-chloro-N-(4-fluoro-3-methylphenyl)- Related Literature
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1. 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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Adeline Huiling Loo,Alessandra Bonanni,Martin Pumera Analyst, 2013,138, 467-471
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Ravi Kumar Yadav,R. Govindaraj Phys. Chem. Chem. Phys., 2020,22, 26876-26886
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Haitao Li,Yu Pan,Zhizhi Wang,Shan Chen,Ruixin Guo,Jianqiu Chen RSC Adv., 2015,5, 100775-100782
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