2-Bromo-5-fluorocinnamic acid

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Catalog Number
ACM202865701
Product Name
2-Bromo-5-fluorocinnamic acid
Structure
Structure
CAS
202865-70-1
Category
Bromine Series
Synonyms
3-(2-Bromo-5-fluorophenyl)-2-propenoic acid
IUPAC Name
(E)-3-(2-Bromo-5-fluorophenyl)prop-2-enoic acid
Molecular Weight
245.04
Molecular Formula
C9H6BrFO2
Canonical SMILES
C1=CC(=C(C=C1F)C=CC(=O)O)Br
InChI
InChI=1S/C9H6BrFO2/c10-8-3-2-7(11)5-6(8)1-4-9(12)13/h1-5H,(H,12,13)/b4-1+
InChI Key
AWWFJLNOEZAVHZ-DAFODLJHSA-N
Boiling Point
332.0±27.0 °C
Melting Point
188-192 °C
Flash Point
154.6ºC
Density
1.685±0.06 g/cm³
EC Number
606-497-6
Exact Mass
243.95352
Hazard Statements
Xi
H-Bond Acceptor
3
H-Bond Donor
1
Isomeric SMILES
C1=CC(=C(C=C1F)/C=C/C(=O)O)Br
Monoisotopic Mass
243.95352
Safety Description
S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
S36/37/39:Wear suitable protective clothing, gloves and eye/face protection .
Storage Conditions
2-8 °C
Topological Polar Surface Area
37.3 Ų
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