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Brc1cnc(nc1)C
Pyrimidine, 5-bromo-2-methyl-
CCCP1(=O)OP(=O)(CCC)OP(=O)(O1)CCC
1,3,5,2,4,6-Trioxatriphosphorinane, 2,4,6-tripropyl-, 2,4,6-trioxide
CC1(C)OB(OC1(C)C)B1OC(C(O1)(C)C)(C)C
2,2'-Bi-1,3,2-dioxaborolane, 4,4,4',4',5,5,5',5'-octamethyl-
O=C(C=Cc1ccccc1)C=Cc1ccccc1.O=C(C=Cc1ccccc1)C=Cc1ccccc1.O=C(C=Cc1ccccc1)C=Cc1ccccc1.[Pd].[Pd]
Tris(dibenzylideneacetone)dipalladium
C1CCC(CC1)P(C1CCCCC1)C1CCCCC1.Cc1cc(C)c(c(c1)C)N1CCN(C1=[Ru](=Cc1ccccc1)(Cl)Cl)c1c(C)cc(cc1C)C
Ruthenium,[1,3-bis(2,4,6-trimethylphenyl)-2-imidazolidinylidene]dichloro(phenylmethylene)(tricyclohexylphosphine)-, (SP-5-41)-

2-Propenoic acid, 3-(3-fluorophenyl)-, (2E)-

OC(=O)/C=C/c1cccc(c1)F Request for Quotation
Chemical Name: 2-Propenoic acid, 3-(3-fluorophenyl)-, (2E)-
CAS Number: 20595-30-6
Product Number: AG002AFL(AGN-PC-0O7K0Q)
Synonyms:
MDL No: MFCD00004383
Molecular Formula: C9H7FO2
Molecular Weight: 166.1491

Identification/Properties

Computed Properties
Molecular Weight:
166.151g/mol
XLogP3:
2
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
3
Rotatable Bond Count:
2
Exact Mass:
166.043g/mol
Monoisotopic Mass:
166.043g/mol
Topological Polar Surface Area:
37.3A^2
Heavy Atom Count:
12
Formal Charge:
0
Complexity:
189
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
0
Undefined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
Covalently-Bonded Unit Count:
1
Compound Is Canonicalized:
Yes

Safety Information

GHS Pictogram:
Signal Word:
Danger
UN#:
2811
Hazard Statements:
H301-H315-H319-H335
Precautionary Statements:
P261-P301+P310-P305+P351+P338
Class:
6.1
Packing Group:
Ⅲ

NMR Spectrum

Other Analytical Data

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Chemical Structure


Trans-3-Fluorocinnamic acid is a versatile compound widely used in chemical synthesis processes. Its distinct structure, featuring a trans double bond and a fluorine substitution at the para position of the aromatic ring, makes it a valuable building block in the creation of various complex molecules.In organic synthesis, trans-3-Fluorocinnamic acid serves as a key intermediate for the preparation of pharmaceuticals, agrochemicals, and specialty chemicals. Due to the presence of the fluorine atom, this compound can participate in diverse chemical reactions, leading to the formation of new carbon-carbon and carbon-heteroatom bonds.One important application of trans-3-Fluorocinnamic acid is its role in the synthesis of biologically active compounds. By utilizing its unique structural features, chemists can modify the molecule to introduce specific functional groups or stereochemical elements, thereby tailoring the properties of the final products for desired biological activities.Furthermore, trans-3-Fluorocinnamic acid is utilized in the preparation of materials for organic electronic devices, such as organic light-emitting diodes (OLEDs) and organic photovoltaic cells. Its compatibility with various polymer matrices and conjugated systems makes it an attractive candidate for enhancing the optoelectronic properties of these materials.Overall, the applications of trans-3-Fluorocinnamic acid in chemical synthesis are diverse and promising, offering researches and industries a valuable tool for the design and development of novel compounds with tailored functionalities and properties.