4-Chloro-2-fluorocinnamic acid,predominantly trans

CAS
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CAS
312693-55-3
Size
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Purity
96%
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Catalog Number

ACM312693553

Product Name

4-Chloro-2-fluorocinnamic acid,predominantly trans

Structure

Structure

CAS

312693-55-3

Category

Alkenyl Fluorinated Building Blocks

Synonyms

3-(4-Chloro-2-fluorophenyl)acrylic acid, 4-Chloro-2-fluorocinnamic acid, 202982-65-8, SBB003542, (2E)-3-(4-chloro-2-fluorophenyl)prop-2-enoic acid, 312693-55-3, 4-Chloro-2-fluorocinnamicacid, PubChem3431, 3-(4-chloro-2-fluorophenyl)prop-2-enoic acid, AC1NZT72, SureCN1233597, 529079_ALDRICH, RARECHEM BK HW 0062, TIMTEC-BB SBB003542, MolPort-000-166-294, ACT02258, JRD-1727, trans-4-Chloro-2-fluorocinnamic acid, AKOS015850132, AS02745

IUPAC Name

(E)-3-(4-chloro-2-fluorophenyl)prop-2-enoic acid

Molecular Weight

200.59

Molecular Formula

C₉H₇FO

Canonical SMILES

C1=CC(=C(C=C1Cl)F)C=CC(=O)O

InChI Key

FVLPOWWRHAOKMT-DUXPYHPUSA-N

Boiling Point

316.4ºC at 760mmHg

Melting Point

213-216ºC(lit.)

Flash Point

145.1ºC

Density

1.42g/cm³

EC Number

606-508-4

Exact Mass

200.00400

Hazard Statements

H301-H314-H410

H-Bond Acceptor

3

H-Bond Donor

1

RIDADR

NONH for all modes of transport

Safety Description

26-36

Symbol

GHS05

WGK Germany

3

MSDS

COA

Spec Sheet

Download Spec Sheet

What is the molecular formula of 4-Chloro-2-fluorocinnamic acid?

The molecular formula is C9H6ClFO2.

What is the molecular weight of 4-Chloro-2-fluorocinnamic acid?

The molecular weight is 200.59 g/mol.

What is the IUPAC name of 4-Chloro-2-fluorocinnamic acid?

The IUPAC name is (E)-3-(4-chloro-2-fluorophenyl)prop-2-enoic acid.

What is the InChI of 4-Chloro-2-fluorocinnamic acid?

The InChI is InChI=1S/C9H6ClFO2/c10-7-3-1-6(8(11)5-7)2-4-9(12)13/h1-5H,(H,12,13)/b4-2+.

What is the InChIKey of 4-Chloro-2-fluorocinnamic acid?

The InChIKey is FVLPOWWRHAOKMT-DUXPYHPUSA-N.

What is the canonical SMILES of 4-Chloro-2-fluorocinnamic acid?

The canonical SMILES is C1=CC(=C(C=C1Cl)F)C=CC(=O)O.

What is the XLogP3-AA value of 4-Chloro-2-fluorocinnamic acid?

The XLogP3-AA value is 2.6.

How many hydrogen bond donor counts does 4-Chloro-2-fluorocinnamic acid have?

It has 1 hydrogen bond donor count.

What is the topological polar surface area of 4-Chloro-2-fluorocinnamic acid?

The topological polar surface area is 37.3 ?2.

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