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3-Ethoxy-2-fluorobenzaldehyde

CAT: 0127-PC400046-01Size: 250 mgDry Ice: NoHazardous: No
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CAT#:0127-PC400046-01Size:250 mg
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CAS Number
1204176-29-3
MDL Number
MFCD24678362
Purity
97%
Smiles
CCOc1cccc(C=O)c1F

Chemical Information

3-Ethoxy-2-fluorobenzaldehyde
CAS Number1204176-29-3
PubChem CID58423177
IUPAC Name3-ethoxy-2-fluorobenzaldehyde
Molecular FormulaC9H9FO2
Molecular Weight168.16
XLogP1.8
Topological Polar Surface Area26.3
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count3
Heavy Atom Count12
Formal Charge0
Complexity149
SMILES
CCOC1=CC=CC(=C1F)C=O
InChI
InChI=1S/C9H9FO2/c1-2-12-8-5-3-4-7(6-11)9(8)10/h3-6H,2H2,1H3
InChIKey
NMKZYUJCLQVHSM-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 3-Ethoxy-2-fluorobenzaldehyde
CAS: 1204176-29-3
CID: 58423177
Formula: C9H9FO2
MW: 168.16
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight168.16
XLogP31.8
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count3
Exact Mass168.05865769
Monoisotopic Mass168.05865769
Topological Polar Surface Area26.3 Ų
Heavy Atom Count12
Formal Charge0
Complexity149
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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