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1-Fluoro-2-naphthaldehyde

CAT: 0127-PC5696-01Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0127-PC5696-01Size:100 mg
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CAS Number
143901-96-6
Synonyms
1-Fluoronaphthalene-2-carboxaldehyde, 1-Fluoro-2-formylnaphthalene
MDL Number
MFCD09029701
Purity
97%
Smiles
Fc1c(C=O)ccc2ccccc12

Chemical Information

1-Fluoronaphthalene-2-carbaldehyde
CAS Number143901-96-6
PubChem CID15208437
IUPAC Name1-fluoronaphthalene-2-carbaldehyde
Molecular FormulaC11H7FO
Molecular Weight174.17
XLogP2.7
Topological Polar Surface Area17.1
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count1
Heavy Atom Count13
Formal Charge0
Complexity193
SMILES
C1=CC=C2C(=C1)C=CC(=C2F)C=O
InChI
InChI=1S/C11H7FO/c12-11-9(7-13)6-5-8-3-1-2-4-10(8)11/h1-7H
InChIKey
YPWUQMKWNNQMDX-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 1-Fluoronaphthalene-2-carbaldehyde
CAS: 143901-96-6
CID: 15208437
Formula: C11H7FO
MW: 174.17
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight174.17
XLogP32.7
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count1
Exact Mass174.048093005
Monoisotopic Mass174.048093005
Topological Polar Surface Area17.1 Ų
Heavy Atom Count13
Formal Charge0
Complexity193
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