4- (3,4-Difluorophenoxy) benzaldehyde

CAT: 0127-PC1004333-01Size: 250 mgDry Ice: NoHazardous: No

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CAT#:0127-PC1004333-01Size:250 mg

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CAS Number

486449-90-5

MDL Number

MFCD09038283

Purity

97%

Smiles

FC1=CC=C(OC2=CC=C(C=O)C=C2)C=C1F

Chemical Information

4-(3,4-Difluorophenoxy)benzaldehyde

CAS Number	486449-90-5
PubChem CID	10585741
IUPAC Name	4-(3,4-difluorophenoxy)benzaldehyde
Molecular Formula	C13H8F2O2
Molecular Weight	234.20
XLogP	3.3
Topological Polar Surface Area	26.3
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	3
Heavy Atom Count	17
Formal Charge	0
Complexity	252

SMILES

C1=CC(=CC=C1C=O)OC2=CC(=C(C=C2)F)F

InChI

InChI=1S/C13H8F2O2/c14-12-6-5-11(7-13(12)15)17-10-3-1-9(8-16)2-4-10/h1-8H

InChIKey

XVYWAQAFWQZGBI-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 486449-90-5

CID: 10585741

Formula: C13H8F2O2

MW: 234.20

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	234.20
XLogP3	3.3
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	3
Exact Mass	234.04923582
Monoisotopic Mass	234.04923582
Topological Polar Surface Area	26.3 Å²
Heavy Atom Count	17
Formal Charge	0
Complexity	252
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
PC1011245	4- ((2,6-difluorophenoxy) methyl) benzaldehyde
PC1001382-01	4- (3,4-Difluorophenoxy) aniline
PC1023249-01	4- (3,4-Difluorophenoxy) benzonitrile
PC110665-01	3- (3,4-Difluorophenoxy) pyrrolidine
PC107136	3- (3,4-Difluorophenoxy) azetidine
PC1003981-01	3- (3,4-Difluorophenoxy) piperidine
PC100302-01	4- (3,4-Difluorophenoxy) -2-methylaniline
PC8486-01	4- (2,4-Difluorophenoxy) -3-nitrobenzamidoxime
PC102120-01	4- (3,4-Difluorophenoxy) piperidine hydrochloride
PC99617-01	4- (3,4-Difluorophenoxy) benzoic acid

Catalog	Name
FD67192-01	4'- (3,4-Difluorophenoxy) benzaldehyde
JNB23583-01	4- (3,5-Difluorophenoxy) benzaldehyde
sc-298066	2- (2,4-Difluorophenoxy) benzaldehyde
422888-01	3- (4-Fluorophenyl) benzaldehyde
sc-231333	3- (4-Methoxyphenoxy) benzaldehyde
sc-231324	3-(4-Chlorophenoxy)benzaldehyde
TAA98609-01	4- (3-Methylbutoxy) benzaldehyde
HDA62525-01	4- (3-Chloropropoxy) benzaldehyde
PMB75829-01	4- (3-Fluorophenoxy) benzaldehyde
TYD-03036-01	4- (3-Fluorobenzyloxy) benzaldehyde