3-Fluoro-5-phenoxybenzaldehyde

CAT: 0127-PC1021439-01Size: 250 mgDry Ice: NoHazardous: No

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CAT#:0127-PC1021439-01Size:250 mg

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CAS Number

343957-41-5

MDL Number

MFCD32111099

Purity

95%

Smiles

O (c1cc (C=O) cc (F) c1) c1ccccc1

Chemical Information

3-Fluoro-5-phenoxybenzaldehyde

CAS Number	343957-41-5
PubChem CID	12874241
IUPAC Name	3-fluoro-5-phenoxybenzaldehyde
Molecular Formula	C13H9FO2
Molecular Weight	216.21
XLogP	3.5
Topological Polar Surface Area	26.3
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	3
Heavy Atom Count	16
Formal Charge	0
Complexity	226

SMILES

C1=CC=C(C=C1)OC2=CC(=CC(=C2)C=O)F

InChI

InChI=1S/C13H9FO2/c14-11-6-10(9-15)7-13(8-11)16-12-4-2-1-3-5-12/h1-9H

InChIKey

OKLIBICEXQAHKF-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 343957-41-5

CID: 12874241

Formula: C13H9FO2

MW: 216.21

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	216.21
XLogP3	3.5
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	3
Exact Mass	216.05865769
Monoisotopic Mass	216.05865769
Topological Polar Surface Area	26.3 Å²
Heavy Atom Count	16
Formal Charge	0
Complexity	226
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
PC32801	2-Fluoro-3-phenoxybenzaldehyde
PC4157-01	4-Fluoro-3-phenoxybenzaldehyde
PC303408-01	3-Fluoro-4-phenoxybenzaldehyde
PC450194-01	4-Fluoro-3-phenoxybenzaldehyde oxime
BUP19113	3-Phenoxybenzaldehyde
PC1519	4-Fluoro-2-phenoxybenzaldehyde
PC1025459	2-fluoro-4-phenoxybenzaldehyde
BUP11919-01	3-Phenoxybenzaldehyde cyanohydrin
OR1093264	2-Methoxy-5-phenoxybenzaldehyde
OR1082156-01	5-chloro-2-phenoxybenzaldehyde

Catalog	Name
FF70884-01	4-Fluoro-3-phenoxybenzaldehyde
sc-506650	4-Fluoro-3-phenoxybenzaldehyde oxime
sc-298459A	2-Fluoro-6-phenoxybenzaldehyde
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
276322-01	S-4-Fluoro-3-phenoxybenzaldehyde cyanhydrine
TRC-F599055-100MG	(R)-4-Fluoro-3-phenoxybenzaldehyde Cyanhydrine
T64388-01	3-Phenoxybenzaldehyde
T9434-01	3-Phenoxybenzaldehyde cyanohydrin