4-Fluoro-2,5-dimethoxybenzaldehyde

CAT: 0127-PC1021992Size: 1 EachDry Ice: NoHazardous: No

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CAS Number

82830-48-6

MDL Number

MFCD19301638

Purity

97%

Smiles

C1 (c (cc (c (c1) C=O) OC) F) OC

Chemical Information

4-Fluoro-2,5-dimethoxybenzaldehyde

CAS Number	82830-48-6
PubChem CID	44719500
IUPAC Name	4-fluoro-2,5-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	174

SMILES

COC1=CC(=C(C=C1C=O)OC)F

InChI

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

InChIKey

KCIZHZCNIPZAPO-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 82830-48-6

CID: 44719500

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	174
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
PC1012100	5-Fluoro-2,4-dimethoxybenzaldehyde
PC1021846	3-Fluoro-4,5-dimethoxybenzaldehyde
PC1003573-01	4-Fluoro-3,5-dimethoxybenzaldehyde
PC1009026-01	2-Fluoro-3,5-dimethoxybenzaldehyde
PC1010716	4-Fluoro-2,3-dimethoxybenzaldehyde
PC1001875-01	2-Fluoro-3,4-dimethoxybenzaldehyde
OR1095632	5-iodo-2,4-dimethoxybenzaldehyde
OR1093973-01	2-ethyl-4,5-dimethoxybenzaldehyde
OR1064147-01	2-Iodo-4,5-dimethoxybenzaldehyde
OR1072554-01	4-Ethyl-2,5-dimethoxybenzaldehyde

Catalog	Name
FGA83146-01	5-Fluoro-2,4-dimethoxybenzaldehyde
WCA92461-01	3-Fluoro-4,5-Dimethoxybenzaldehyde
PAA38291	2-Hydroxy-4,5-dimethoxybenzaldehyde
sc-267305	4-Bromo-2,5-dimethoxybenzaldehyde
MLB77134-01	5-Chloro-2,4-dimethoxybenzaldehyde
TAA09305	2-Chloro-4,5-dimethoxybenzaldehyde
280371-01	2-Iodo-4,5-dimethoxybenzaldehyde
sc-225172	2-Benzyloxy-4,5-dimethoxybenzaldehyde
sc-226933	5-Bromo-2,4-dimethoxybenzaldehyde
TN9217-01	2,5-Dimethoxybenzaldehyde