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4-Fluoro-3-phenoxybenzaldehyde

CAT: 0127-PC4157-01Size: 5 gDry Ice: NoHazardous: No
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CAT#:0127-PC4157-01Size:5 g
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CAS Number
68359-57-9
Synonyms
2-Fluoro-5-formyldiphenyl ether
MDL Number
MFCD01318148
Purity
98%
Smiles
Fc1ccc(C=O)cc1Oc2ccccc2

Chemical Information

4-Fluoro-3-phenoxybenzaldehyde
CAS Number68359-57-9
PubChem CID110068
IUPAC Name4-fluoro-3-phenoxybenzaldehyde
Molecular FormulaC13H9FO2
Molecular Weight216.21
XLogP3
Topological Polar Surface Area26.3
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count3
Heavy Atom Count16
Formal Charge0
Complexity226
SMILES
C1=CC=C(C=C1)OC2=C(C=CC(=C2)C=O)F
InChI
InChI=1S/C13H9FO2/c14-12-7-6-10(9-15)8-13(12)16-11-4-2-1-3-5-11/h1-9H
InChIKey
JDICMOLUAHZVDS-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 4-Fluoro-3-phenoxybenzaldehyde
CAS: 68359-57-9
CID: 110068
Formula: C13H9FO2
MW: 216.21
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight216.21
XLogP33
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count3
Exact Mass216.05865769
Monoisotopic Mass216.05865769
Topological Polar Surface Area26.3 Ų
Heavy Atom Count16
Formal Charge0
Complexity226
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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Alternative Products

CatalogName
FF70884-014-Fluoro-3-phenoxybenzaldehyde
sc-5066504-Fluoro-3-phenoxybenzaldehyde oxime
TRC-F595200-100MG(S)-4-Fluoro-3-phenoxybenzaldehyde Cyanhydrine
sc-490778(S) -4-Fluoro-3-phenoxybenzaldehyde cyanhydrine
463856-01(R) -4-Fluoro-3-phenoxybenzaldehyde Cyanhydrine
276322-01S-4-Fluoro-3-phenoxybenzaldehyde cyanhydrine
TRC-F599055-100MG(R)-4-Fluoro-3-phenoxybenzaldehyde Cyanhydrine
sc-298459A2-Fluoro-6-phenoxybenzaldehyde
433352-014-Phenoxybenzaldehyde
AP KR 0033-014-methoxy-3-phenoxybenzaldehyde

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