4-Fluoro-3,5-dimethoxybenzaldehyde

CAT: 0127-PC1003573-01Size: 100 mgDry Ice: NoHazardous: No

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CAT#:0127-PC1003573-01Size:100 mg

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CAS Number

56518-54-8

MDL Number

MFCD19440616

Purity

95%

Smiles

O=CC1=CC(OC)=C(C(OC)=C1)F

Chemical Information

4-Fluoro-3,5-dimethoxybenzaldehyde

CAS Number	56518-54-8
PubChem CID	12398449
IUPAC Name	4-fluoro-3,5-dimethoxybenzaldehyde
Molecular Formula	C9H9FO3
Molecular Weight	184.16
XLogP	1.4
Topological Polar Surface Area	35.5
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	3
Heavy Atom Count	13
Formal Charge	0
Complexity	160

SMILES

COC1=CC(=CC(=C1F)OC)C=O

InChI

InChI=1S/C9H9FO3/c1-12-7-3-6(5-11)4-8(13-2)9(7)10/h3-5H,1-2H3

InChIKey

AFZBAFJQVFOKAN-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 56518-54-8

CID: 12398449

Formula: C9H9FO3

MW: 184.16

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	184.16
XLogP3	1.4
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	3
Exact Mass	184.05357231
Monoisotopic Mass	184.05357231
Topological Polar Surface Area	35.5 Å²
Heavy Atom Count	13
Formal Charge	0
Complexity	160
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
PC1021846	3-Fluoro-4,5-dimethoxybenzaldehyde
PC1012100	5-Fluoro-2,4-dimethoxybenzaldehyde
PC1021992	4-Fluoro-2,5-dimethoxybenzaldehyde
PC1009026-01	2-Fluoro-3,5-dimethoxybenzaldehyde
PC1010716	4-Fluoro-2,3-dimethoxybenzaldehyde
PC1001875-01	2-Fluoro-3,4-dimethoxybenzaldehyde
OR914369-01	4-Bromo-3,5-dimethoxybenzaldehyde
OR92087-01	4- (Benzyloxy) -3,5-dimethoxybenzaldehyde
OR1099758	4-chloro-3,5-dimethoxybenzaldehyde
OR1048262-01	4-Ethoxy-3,5-dimethoxybenzaldehyde

Catalog	Name
WCA92461-01	3-Fluoro-4,5-Dimethoxybenzaldehyde
FGA83146-01	5-Fluoro-2,4-dimethoxybenzaldehyde
TAA26868	3-Chloro-4,5-dimethoxybenzaldehyde
FB19111-01	4-Bromo-3,5-dimethoxybenzaldehyde
PBA07525-01	4-Ethoxy-3,5-dimethoxybenzaldehyde
424026-01	3-Benzyloxy-4,5-dimethoxybenzaldehyde
TRC-H825425-2.5G	5-Hydroxy-3,4-dimethoxybenzaldehyde
TRC-A165383-2.5G	4-Acetoxy-3,5-dimethoxybenzaldehyde
FH11488-01	4-Hydroxy-3,5-dimethoxybenzaldehyde
sc-231762	3-Iodo-4,5-dimethoxybenzaldehyde