trans-2,5-Difluorocinnamic acid

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Catalog Number
ACM112898336
Product Name
trans-2,5-Difluorocinnamic acid
Structure
Structure
CAS
112898-33-6
Category
Alkenyl Fluorinated Building Blocks
Synonyms
(2E)-3-(2,5-Difluorophenyl)-2-propenoic acid
IUPAC Name
(E)-3-(2,5-Difluorophenyl)prop-2-enoic acid
Molecular Weight
184.14
Molecular Formula
C9H6BrFO2
Canonical SMILES
C1=CC(=C(C=C1F)C=CC(=O)O)F
InChI
InChI=1S/C9H6F2O2/c10-7-2-3-8(11)6(5-7)1-4-9(12)13/h1-5H,(H,12,13)/b4-1+
InChI Key
XAWHCSKPALFWBI-DAFODLJHSA-N
Boiling Point
278.5±25.0 °C
Melting Point
138-140 °C
Density
1.3056 g/mL at 25 °C(lit.)
Exact Mass
184.03358575
Hazard Statements
H315-H319-H335
Isomeric SMILES
C1=CC(=C(C=C1F)/C=C/C(=O)O)F
Monoisotopic Mass
184.03358575
RIDADR
NONH for all modes of transport
Symbol
GHS07
Topological Polar Surface Area
37.3 Ų
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