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Structure

2,3-difluorocinnamic acid

CAS
207981-48-4
Catalog Number
ACM207981484
Category
Other Products
Molecular Weight
184.14
Molecular Formula
C9H6F2O2

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Specification

Synonyms
Trans-2,3-difluorocinnamic acid
IUPAC Name
(E)-3-(2,3-Difluorophenyl)prop-2-enoic acid
Canonical SMILES
C1=CC(=C(C(=C1)F)F)C=CC(=O)O
InChI
InChI=1S/C9H6F2O2/c10-7-3-1-2-6(9(7)11)4-5-8(12)13/h1-5H,(H,12,13)/b5-4+
InChI Key
NVQHKPLMLCHFSU-SNAWJCMRSA-N
Boiling Point
281.3±25.0 °C
Melting Point
200-202 °C
Density
1.379±0.06 g/cm³
Exact Mass
184.03358575
Isomeric SMILES
C1=CC(=C(C(=C1)F)F)/C=C/C(=O)O
Monoisotopic Mass
184.03358575
Storage Conditions
2-8 °C
Topological Polar Surface Area
37.3 Ų
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