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(Pentafluorophenoxy)acetyl chloride , CAS No.55502-53-9
Discover (Pentafluorophenoxy)acetyl chloride by Aladdin Scientific in for only $213.90. Available - in Ligands at Aladdin Scientific. Tags: .
Basic Description
Synonyms
2,3,4,5,6-PENTAFLUOROPHENOXYACETYL CHLORIDE | ACETYL CHLORIDE, 2-(2,3,4,5,6-PENTAFLUOROPHENOXY)- | SCHEMBL3026303 | NSC 97008 | 2-(2,3,4,5,6-pentafluorophenoxy)acetyl chloride | 2-(Perfluorophenoxy)acetylchloride | UNII-8SEH5G2HML | EINECS 259-676-2 | (Pe
Shipped In
Normal
Taxonomic Classification
Kingdom
Organic compounds
Superclass
Benzenoids
Class
Phenol ethers
Subclass
Not available
Intermediate Tree Nodes
Not available
Direct Parent
Phenol ethers
Alternative Parents
Phenoxy compounds Fluorobenzenes Alkyl aryl ethers Aryl fluorides Acyl chlorides Organofluorides Organochlorides Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Phenoxy compound - Phenol ether - Alkyl aryl ether - Fluorobenzene - Halobenzene - Monocyclic benzene moiety - Aryl halide - Aryl fluoride - Acyl chloride - Acyl halide - Ether - Organooxygen compound - Organofluoride - Organochloride - Organohalogen compound - Carbonyl group - Organic oxygen compound - Hydrocarbon derivative - Organic oxide - Aromatic homomonocyclic compound
Description
This compound belongs to the class of organic compounds known as phenol ethers. These are aromatic compounds containing an ether group substituted with a benzene ring.
External Descriptors
Not available
Data sources
1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.
Names and Identifiers
IUPAC Name
2-(2,3,4,5,6-pentafluorophenoxy)acetyl chloride
INCHI
InChI=1S/C8H2ClF5O2/c9-2(15)1-16-8-6(13)4(11)3(10)5(12)7(8)14/h1H2
InChIKey
WQLJMPAQIWVNGS-UHFFFAOYSA-N
Smiles
C(C(=O)Cl)OC1=C(C(=C(C(=C1F)F)F)F)F
Isomeric SMILES
C(C(=O)Cl)OC1=C(C(=C(C(=C1F)F)F)F)F
PubChem CID
97020
Molecular Weight
260.55
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Molecular Weight
260.540 g/mol
XLogP3
3.000
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
7
Rotatable Bond Count
3
Exact Mass
259.966 Da
Monoisotopic Mass
259.966 Da
Topological Polar Surface Area
26.300 Ų
Heavy Atom Count
16
Formal Charge
0
Complexity
251.000
Isotope Atom Count
0
Defined Atom Stereocenter Count
0
Undefined Atom Stereocenter Count
0
Defined Bond Stereocenter Count
0
Undefined Bond Stereocenter Count
0
The total count of all stereochemical bonds
0
Covalently-Bonded Unit Count
1
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