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2-(2-Chlorophenyl)-2,2-difluoroacetic acid - 97%, high purity , CAS No.1150164-78-5
Basic Description
Synonyms
2-(2-CHLOROPHENYL)-2,2-DIFLUOROACETIC ACID | 1150164-78-5 | MFCD12026026 | Benzeneacetic acid, 2-chloro-alpha,alpha-difluoro- | SCHEMBL17420551 | DTXSID00674962 | AC3008 | (2-Chlorophenyl)(difluoro)acetic acid | AKOS011681442 | BS-19378 | SY028853 | CS-0451789 | EN300-96769 | A894
Specifications & Purity
≥97%
Storage Temp
Room temperature
Shipped In
Normal
Taxonomic Classification
Kingdom
Organic compounds
Superclass
Benzenoids
Class
Benzene and substituted derivatives
Subclass
Halobenzenes
Intermediate Tree Nodes
Not available
Direct Parent
Chlorobenzenes
Alternative Parents
Aryl chlorides Alpha-halocarboxylic acids Monocarboxylic acids and derivatives Carboxylic acids Organofluorides Organochlorides Organic oxides Hydrocarbon derivatives Carbonyl compounds Alkyl fluorides
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Chlorobenzene - Aryl chloride - Aryl halide - Alpha-halocarboxylic acid - Alpha-halocarboxylic acid or derivatives - Carboxylic acid derivative - Carboxylic acid - Monocarboxylic acid or derivatives - Alkyl fluoride - Organohalogen compound - Organochloride - Organofluoride - Carbonyl group - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Alkyl halide - Aromatic homomonocyclic compound
Description
This compound belongs to the class of organic compounds known as chlorobenzenes. These are compounds containing one or more chlorine atoms attached to a benzene moiety.
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-chlorophenyl)-2,2-difluoroacetic acid
INCHI
InChI=1S/C8H5ClF2O2/c9-6-4-2-1-3-5(6)8(10,11)7(12)13/h1-4H,(H,12,13)
InChIKey
KKGDBVUFFAFBFG-UHFFFAOYSA-N
Smiles
C1=CC=C(C(=C1)C(C(=O)O)(F)F)Cl
Isomeric SMILES
C1=CC=C(C(=C1)C(C(=O)O)(F)F)Cl
Molecular Weight
206.6
Reaxy-Rn
37094485
Reaxys-RN_link_address
https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=37094485&ln=
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Molecular Weight
206.570 g/mol
XLogP3
2.800
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
4
Rotatable Bond Count
2
Exact Mass
205.995 Da
Monoisotopic Mass
205.995 Da
Topological Polar Surface Area
37.300 Ų
Heavy Atom Count
13
Formal Charge
0
Complexity
208.000
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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