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3-Acetyl-2-fluorobenzaldehyde

CAT: 0127-PC1016173-01Size: 250 mgDry Ice: NoHazardous: No
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CAT#:0127-PC1016173-01Size:250 mg
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CAS Number
2385435-38-9
MDL Number
MFCD34761715
Purity
97%
Smiles
C1 (cccc (c1F) C=O) C (=O) C

Chemical Information

3-Acetyl-2-fluorobenzaldehyde
CAS Number2385435-38-9
PubChem CID144119174
IUPAC Name3-acetyl-2-fluorobenzaldehyde
Molecular FormulaC9H7FO2
Molecular Weight166.15
XLogP1.2
Topological Polar Surface Area34.1
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count2
Heavy Atom Count12
Formal Charge0
Complexity191
SMILES
CC(=O)C1=CC=CC(=C1F)C=O
InChI
InChI=1S/C9H7FO2/c1-6(12)8-4-2-3-7(5-11)9(8)10/h2-5H,1H3
InChIKey
RXKSCPRZKSAWJH-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 3-Acetyl-2-fluorobenzaldehyde
CAS: 2385435-38-9
CID: 144119174
Formula: C9H7FO2
MW: 166.15
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight166.15
XLogP31.2
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count2
Exact Mass166.04300762
Monoisotopic Mass166.04300762
Topological Polar Surface Area34.1 Ų
Heavy Atom Count12
Formal Charge0
Complexity191
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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