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Methyl (E)-3-(3-(trifluoromethyl)phenyl)acrylate - ≥95%, high purity , CAS No.104201-66-3

COA

Grade & Purity:

≥95%

Cas Number: 104201-66-3
Molecular Weight: 230.18
PubChem CID: 5314585

In stock

Item Number

M692606

Grouped product items
SKU	Size	Availability	Price
M692606-100mg	100mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$169.90
M692606-250mg	250mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$325.90
M692606-1g	1g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$650.90

Taxonomic Classification

Taxonomy Tree

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

Kingdom	Organic compounds
Superclass	Phenylpropanoids and polyketides
Class	Cinnamic acids and derivatives
Subclass	Cinnamic acid esters
Intermediate Tree Nodes	Not available
Direct Parent	Cinnamic acid esters
Alternative Parents	Trifluoromethylbenzenes Styrenes Fatty acid esters Methyl esters Enoate esters Monocarboxylic acids and derivatives Organofluorides Organic oxides Hydrocarbon derivatives Carbonyl compounds Alkyl fluorides
Molecular Framework	Aromatic homomonocyclic compounds
Substituents	Cinnamic acid ester - Trifluoromethylbenzene - Styrene - Fatty acid ester - Monocyclic benzene moiety - Fatty acyl - Benzenoid - Alpha,beta-unsaturated carboxylic ester - Enoate ester - Methyl ester - Carboxylic acid ester - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Organohalogen compound - Alkyl halide - Hydrocarbon derivative - Organic oxide - Alkyl fluoride - Carbonyl group - Organic oxygen compound - Organofluoride - Organooxygen compound - Aromatic homomonocyclic compound
Description	This compound belongs to the class of organic compounds known as cinnamic acid esters. These are compound containing an ester derivative of cinnamic 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	methyl (E)-3-[3-(trifluoromethyl)phenyl]prop-2-enoate
INCHI	InChI=1S/C11H9F3O2/c1-16-10(15)6-5-8-3-2-4-9(7-8)11(12,13)14/h2-7H,1H3/b6-5+
InChIKey	ZQAIZQSBGPNEEN-AATRIKPKSA-N
Smiles	COC(=O)C=CC1=CC(=CC=C1)C(F)(F)F
Isomeric SMILES	COC(=O)/C=C/C1=CC(=CC=C1)C(F)(F)F
Molecular Weight	230.18
Reaxy-Rn	5017731
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=5017731&ln=

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

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

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	230.180 g/mol
XLogP3	3.500
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	3
Exact Mass	230.055 Da
Monoisotopic Mass	230.055 Da
Topological Polar Surface Area	26.300 Å²
Heavy Atom Count	16
Formal Charge	0
Complexity	271.000
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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Methyl (E)-3-(3-(trifluoromethyl)phenyl)acrylate - ≥95%, high purity , CAS No.104201-66-3

Basic Description