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3-Fluoro-4-propoxybenzaldehyde

CAT: 0127-PC1024253Size: 1 EachDry Ice: NoHazardous: No
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CAS Number
19415-48-6
MDL Number
MFCD06247716
Purity
97%
Smiles
C1 (c (ccc (c1) C=O) OCCC) F

Chemical Information

3-Fluoro-4-propoxybenzaldehyde
CAS Number19415-48-6
PubChem CID57431926
IUPAC Name3-fluoro-4-propoxybenzaldehyde
Molecular FormulaC10H11FO2
Molecular Weight182.19
XLogP2.3
Topological Polar Surface Area26.3
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count4
Heavy Atom Count13
Formal Charge0
Complexity161
SMILES
CCCOC1=C(C=C(C=C1)C=O)F
InChI
InChI=1S/C10H11FO2/c1-2-5-13-10-4-3-8(7-12)6-9(10)11/h3-4,6-7H,2,5H2,1H3
InChIKey
JUJONVSVSLGOEE-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 3-Fluoro-4-propoxybenzaldehyde
CAS: 19415-48-6
CID: 57431926
Formula: C10H11FO2
MW: 182.19
Interactive 3D Structure
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View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight182.19
XLogP32.3
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count4
Exact Mass182.07430775
Monoisotopic Mass182.07430775
Topological Polar Surface Area26.3 Ų
Heavy Atom Count13
Formal Charge0
Complexity161
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
280082-013- (Hydroxymethyl) -4-propoxybenzaldehyde
sc-2837513-ethoxy-4-propoxybenzaldehyde
270202-013-Chloro-4-propoxybenzaldehyde
sc-2838443-propoxybenzaldehyde
LCA31587-013-Hydroxy-4-propoxybenzaldehyde
426259-013-Methoxy-4-propoxybenzaldehyde
sc-2774664-methoxy-3-propoxybenzaldehyde
QJB138643-bromo-4-propoxybenzaldehyde
sc-2329734-Propoxybenzaldehyde
sc-2762903-Methoxy-4-n-propoxybenzaldehyde

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