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2-Fluoro-6-hydroxybenzaldehyde

CAT: 0127-PC9248-01Size: 1 gDry Ice: NoHazardous: No
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CAT#:0127-PC9248-01Size:1 g
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CAS Number
38226-10-7
Synonyms
6-Fluorosalicylaldehyde, 3-Fluoro-2-formylphenol
MDL Number
MFCD01090996
Purity
97%
Smiles
Oc1cccc(F)c1C=O

Chemical Information

6-Fluorosalicylaldehyde
CAS Number38226-10-7
PubChem CID2737327
IUPAC Name2-fluoro-6-hydroxybenzaldehyde
Molecular FormulaC7H5FO2
Molecular Weight140.11
XLogP1.7
Topological Polar Surface Area37.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count1
Heavy Atom Count10
Formal Charge0
Complexity127
SMILES
C1=CC(=C(C(=C1)F)C=O)O
InChI
InChI=1S/C7H5FO2/c8-6-2-1-3-7(10)5(6)4-9/h1-4,10H
InChIKey
FZIBGCDUHZBOLA-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 6-Fluorosalicylaldehyde
CAS: 38226-10-7
CID: 2737327
Formula: C7H5FO2
MW: 140.11
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight140.11
XLogP31.7
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count1
Exact Mass140.02735756
Monoisotopic Mass140.02735756
Topological Polar Surface Area37.3 Ų
Heavy Atom Count10
Formal Charge0
Complexity127
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