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3-fluoro-5-propoxybenzaldehyde

CAT: 0127-PC1022153Size: 1 EachDry Ice: NoHazardous: No
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CAS Number
883443-33-2
MDL Number
MFCD18426734
Purity
95%
Smiles
C1 (cc (cc (c1) C=O) F) OCCC

Chemical Information

3-Fluoro-5-propoxybenzaldehyde
CAS Number883443-33-2
PubChem CID86236800
IUPAC Name3-fluoro-5-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=CC(=CC(=C1)C=O)F
InChI
InChI=1S/C10H11FO2/c1-2-3-13-10-5-8(7-12)4-9(11)6-10/h4-7H,2-3H2,1H3
InChIKey
KXRCRXMCOAQEEZ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 3-Fluoro-5-propoxybenzaldehyde
CAS: 883443-33-2
CID: 86236800
Formula: C10H11FO2
MW: 182.19
Interactive 3D Structure
Loading 3D structure...
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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sc-2838443-propoxybenzaldehyde
sc-347395A3,5-dibromo-2-propoxybenzaldehyde
sc-346687A3-chloro-5-methoxy-4-propoxybenzaldehyde
sc-2845985-chloro-2-propoxybenzaldehyde
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JIB90789-013-Ethoxy-5-iodo-4-propoxybenzaldehyde
sc-3465743-bromo-5-ethoxy-4-propoxybenzaldehyde
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