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4-Fluoro-2-(Trifluoromethyl)CinnamicAcid - ≥97%, high purity , CAS No.243977-21-1

COA

Grade & Purity:

≥97%

Cas Number: 243977-21-1
Molecular Weight: 234.15
PubChem CID: 5702896

In stock

Item Number

F692768

Grouped product items
SKU	Size	Availability	Price	Qty
F692768-1g	1g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$135.90
F692768-5g	5g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$652.90

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Phenylpropanoids and polyketides
  - Class Cinnamic acids and derivatives
    - Subclass Cinnamic acids

Kingdom	Organic compounds
Superclass	Phenylpropanoids and polyketides
Class	Cinnamic acids and derivatives
Subclass	Cinnamic acids
Intermediate Tree Nodes	Not available
Direct Parent	Cinnamic acids
Alternative Parents	Trifluoromethylbenzenes Styrenes Fluorobenzenes Aryl fluorides Monocarboxylic acids and derivatives Carboxylic acids Organofluorides Organic oxides Hydrocarbon derivatives Carbonyl compounds Alkyl fluorides
Molecular Framework	Aromatic homomonocyclic compounds
Substituents	Cinnamic acid - Trifluoromethylbenzene - Styrene - Fluorobenzene - Halobenzene - Benzenoid - Aryl fluoride - Aryl halide - Monocyclic benzene moiety - Carboxylic acid derivative - Carboxylic acid - Monocarboxylic acid or derivatives - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Carbonyl group - Organohalogen compound - Organofluoride - Organooxygen compound - Alkyl fluoride - Alkyl halide - Aromatic homomonocyclic compound
Description	This compound belongs to the class of organic compounds known as cinnamic acids. These are organic aromatic compounds containing a benzene and a carboxylic acid group forming 3-phenylprop-2-enoic acid.
External Descriptors	Not available
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. DOI: 10.1186/s13321-016-0174-y

Names and Identifiers

IUPAC Name	(E)-3-[4-fluoro-2-(trifluoromethyl)phenyl]prop-2-enoic acid
INCHI	InChI=1S/C10H6F4O2/c11-7-3-1-6(2-4-9(15)16)8(5-7)10(12,13)14/h1-5H,(H,15,16)/b4-2+
InChIKey	OREHSCSLACWBTF-DUXPYHPUSA-N
Smiles	C1=CC(=C(C=C1F)C(F)(F)F)C=CC(=O)O
Isomeric SMILES	C1=CC(=C(C=C1F)C(F)(F)F)/C=C/C(=O)O
PubChem CID	5702896
Molecular Weight	234.15

Certificates（CoA,COO,BSE/TSE and Analysis Chart)

C of A & Other Certificates(BSE/TSE, COO):

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	234.150 g/mol
XLogP3	2.900
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	2
Exact Mass	234.03 Da
Monoisotopic Mass	234.03 Da
Topological Polar Surface Area	37.300 Å²
Heavy Atom Count	16
Formal Charge	0
Complexity	285.000
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	1
Undefined Bond Stereocenter Count	0
The total count of all stereochemical bonds	1
Covalently-Bonded Unit Count	1

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