Cas no 7623-10-1 (Propanoyl chloride, 3-chloro-2-methyl-)
7623-10-1 structure
Product Name:Propanoyl chloride, 3-chloro-2-methyl-
CAS No:7623-10-1
MF:C4H6Cl2O
MW:140.995839595795
CID:538140
PubChem ID:12417487
Update Time:2025-04-19
Propanoyl chloride, 3-chloro-2-methyl- Chemical and Physical Properties
Names and Identifiers
-
- Propanoyl chloride, 3-chloro-2-methyl-
- 7623-10-1
- SCHEMBL1862378
- DTXSID20497317
- REBZXOIBOIJEAU-UHFFFAOYSA-N
- beta-chloroisobutyrylchloride
- 3-chloro-2-methyl-propionyl chloride
- 3-chloro-2-methylpropionyl chloride
- FT-0692105
- 3-chloro-2-methylpropanoyl chloride
- 3-chloro isobutyric acid chloride
-
- Inchi： 1S/C4H6Cl2O/c1-3(2-5)4(6)7/h3H,2H2,1H3
- InChI Key： REBZXOIBOIJEAU-UHFFFAOYSA-N
- SMILES： ClCC(C(=O)Cl)C
Computed Properties
- Exact Mass: 139.97968
- Monoisotopic Mass: 139.9795702g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 7
- Rotatable Bond Count: 2
- Complexity: 72.1
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 1
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 1.9
- Topological Polar Surface Area: 17.1?2
Experimental Properties
- PSA: 17.07
Propanoyl chloride, 3-chloro-2-methyl- Related Literature
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José M. Rivera,Mariana Martín-Hidalgo,Jean C. Rivera-Ríos Org. Biomol. Chem., 2012,10, 7562-7565
-
Siquan Zhang,Shengyao Wang,Liping Guo,Hao Chen,Bien Tan,Shangbin Jin J. Mater. Chem. C, 2020,8, 192-200
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Eunhak Lim,Jiyoung Heo,Seong Keun Kim Nanoscale, 2019,11, 11369-11378
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5. 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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