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2-Fluoro-6-methoxybenzaldehyde

CAT: 0127-PC3458-01Size: 1 gDry Ice: NoHazardous: No
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CAT#:0127-PC3458-01Size:1 g
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CAS Number
146137-74-8
Synonyms
3-Fluoro-2-formylanisole, 6-Fluoro-o-anisaldehyde
MDL Number
MFCD01090998
Purity
98%
Smiles
COc1cccc(F)c1C=O

Chemical Information

2-Fluoro-6-methoxybenzaldehyde
CAS Number146137-74-8
PubChem CID2737357
IUPAC Name2-fluoro-6-methoxybenzaldehyde
Molecular FormulaC8H7FO2
Molecular Weight154.14
XLogP1.5
Topological Polar Surface Area26.3
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count2
Heavy Atom Count11
Formal Charge0
Complexity138
SMILES
COC1=C(C(=CC=C1)F)C=O
InChI
InChI=1S/C8H7FO2/c1-11-8-4-2-3-7(9)6(8)5-10/h2-5H,1H3
InChIKey
UIOAYOIJMYMOEU-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2-Fluoro-6-methoxybenzaldehyde
CAS: 146137-74-8
CID: 2737357
Formula: C8H7FO2
MW: 154.14
Interactive 3D Structure
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Computed Properties
PropertyValue
Molecular Weight154.14
XLogP31.5
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count2
Exact Mass154.04300762
Monoisotopic Mass154.04300762
Topological Polar Surface Area26.3 Ų
Heavy Atom Count11
Formal Charge0
Complexity138
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