21900-54-9 Purity
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Specification
The molecular formula of 2,3,4,5,6-Pentafluorobenzoyl chloride is C7ClF5O.
The molecular weight of 2,3,4,5,6-Pentafluorobenzoyl chloride is 230.52 g/mol.
The IUPAC name of 2,3,4,5,6-Pentafluorobenzoyl chloride is 2,3,4,5,6-pentafluorobenzoyl chloride.
The InChI of 2,3,4,5,6-Pentafluorobenzoyl chloride is InChI=1S/C7ClF5O/c8-7(14)1-2(9)4(11)6(13)5(12)3(1)10.
The InChIKey of 2,3,4,5,6-Pentafluorobenzoyl chloride is MYHOHFDYWMPGJY-UHFFFAOYSA-N.
The canonical SMILES of 2,3,4,5,6-Pentafluorobenzoyl chloride is C1(=C(C(=C(C(=C1F)F)F)F)F)C(=O)Cl.
The CAS number of 2,3,4,5,6-Pentafluorobenzoyl chloride is 2251-50-5.
The molecular weight of 2,3,4,5,6-Pentafluorobenzoyl chloride is 230.52 g/mol.
The XLogP3-AA value of 2,3,4,5,6-Pentafluorobenzoyl chloride is 2.9.
2,3,4,5,6-Pentafluorobenzoyl chloride has 6 hydrogen bond acceptor counts.
Reference: [1]Chinese Chemical Letters,2013,vol. 24,p. 673 - 676
Reference: [1] Journal of Medicinal Chemistry, 2002, vol. 45, # 8, p. 1678 - 1685
[2] Journal of Organic Chemistry, 1988, vol. 53, # 14, p. 3321 - 3325
[3] Asian Journal of Chemistry, 2014, vol. 26, # 8, p. 2362 - 2364
Reference: [1]Dass, Geetha; Jeyasingh, Vanthana; Kumaresan, Murugesan; Lakshminarayanan, Sudha; Piramuthu, Lakshminarayanan; Selvapalam, Narayanan
[Chemical Papers, 2022, vol. 76, # 3, p. 1891 - 1898]
[2]Chambers,R.D. et al.
[Journal of the Chemical Society C: Organic, 1968, p. 1933 - 1937]
Reference: [1]Journal of Heterocyclic Chemistry,1980,vol. 17,p. 1505 - 1508
* For details of the synthesis route, please refer to the original source to ensure accuracy.