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5-Fluoro-2,4-dimethoxybenzaldehyde

CAT: 0926-FGA83146-01Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0926-FGA83146-01Size:100 mg
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CAS Number
155831-46-2
MDL Number
MFCD24677491
Smiles
COC1=CC (=C (C=C1C=O) F) OC
Molecular Formula
C9H9FO3
Molecular Weight
184.16 g/mol
Controlled
No

Chemical Information

5-Fluoro-2,4-dimethoxybenzaldehyde
CAS Number155831-46-2
PubChem CID10035290
IUPAC Name5-fluoro-2,4-dimethoxybenzaldehyde
Molecular FormulaC9H9FO3
Molecular Weight184.16
XLogP1.4
Topological Polar Surface Area35.5
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count3
Heavy Atom Count13
Formal Charge0
Complexity174
SMILES
COC1=CC(=C(C=C1C=O)F)OC
InChI
InChI=1S/C9H9FO3/c1-12-8-4-9(13-2)7(10)3-6(8)5-11/h3-5H,1-2H3
InChIKey
QPJPELUSHAZZHM-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 5-Fluoro-2,4-dimethoxybenzaldehyde
CAS: 155831-46-2
CID: 10035290
Formula: C9H9FO3
MW: 184.16
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight184.16
XLogP31.4
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count3
Exact Mass184.05357231
Monoisotopic Mass184.05357231
Topological Polar Surface Area35.5 Ų
Heavy Atom Count13
Formal Charge0
Complexity174
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
PC10121005-Fluoro-2,4-dimethoxybenzaldehyde
PC10219924-Fluoro-2,5-dimethoxybenzaldehyde
PC10218463-Fluoro-4,5-dimethoxybenzaldehyde
PC1003573-014-Fluoro-3,5-dimethoxybenzaldehyde
PC1009026-012-Fluoro-3,5-dimethoxybenzaldehyde
PC10107164-Fluoro-2,3-dimethoxybenzaldehyde
PC1001875-012-Fluoro-3,4-dimethoxybenzaldehyde
sc-2673054-Bromo-2,5-dimethoxybenzaldehyde
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