2-Chloro-6-fluorocinnamic acid

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Catalog Number

ACM392223

Product Name

Structure

CAS

392-22-3

Category

Heterocyclic Organic Compound

Synonyms

3-(2-Chloro-6-fluorophenyl)-2-propenoate

IUPAC Name

(E)-3-(2-Chloro-6-fluorophenyl)prop-2-enoic acid

Molecular Weight

200.59

Molecular Formula

C9H6ClFO2

Canonical SMILES

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

InChI

InChI=1S/C9H6ClFO2/c10-7-2-1-3-8(11)6(7)4-5-9(12)13/h1-5H,(H,12,13)/b5-4+

InChI Key

NDWALECYVLNBQG-SNAWJCMRSA-N

Boiling Point

312.8±27.0 °C

Melting Point

165-169 °C

Density

1.420±0.06 g/cm³

Exact Mass

200.0040353

Isomeric SMILES

C1=CC(=C(C(=C1)Cl)/C=C/C(=O)O)F

Monoisotopic Mass

200.0040353

Topological Polar Surface Area

37.3 Å²

MSDS

COA

Spec Sheet

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