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6-Fluoro-2-naphthoic acid

CAT: 0024-sc-233575Size: 1 gDry Ice: NoHazardous: No
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CAT#:0024-sc-233575Size:1 g
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CAS Number
5043-01-6

Chemical Information

6-Fluoro-2-naphthoic acid
CAS Number5043-01-6
PubChem CID2782788
IUPAC Name6-fluoronaphthalene-2-carboxylic acid
Molecular FormulaC11H7FO2
Molecular Weight190.17
XLogP3.4
Topological Polar Surface Area37.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count1
Heavy Atom Count14
Formal Charge0
Complexity229
SMILES
C1=CC2=C(C=CC(=C2)F)C=C1C(=O)O
InChI
InChI=1S/C11H7FO2/c12-10-4-3-7-5-9(11(13)14)2-1-8(7)6-10/h1-6H,(H,13,14)
InChIKey
CYKDCZRPLWJEKA-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 6-Fluoro-2-naphthoic acid
CAS: 5043-01-6
CID: 2782788
Formula: C11H7FO2
MW: 190.17
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight190.17
XLogP33.4
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count1
Exact Mass190.04300762
Monoisotopic Mass190.04300762
Topological Polar Surface Area37.3 Ų
Heavy Atom Count14
Formal Charge0
Complexity229
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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