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2-(3-Fluoroquinolin-5-yl)acetic acid (HCID 68754262)|Huagongshe
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Compound
2-(3-Fluoroquinolin-5-yl)acetic acid
HCID
68754262
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Basic information
Standard SMILES
O=C(O)Cc1cccc2ncc(F)cc12
InChIKey
XAPQDJUUKNRNRU-UHFFFAOYSA-N
Molecular formula
C11H8FNO2
Average molar mass
205.18 g/mol
Monoisotopic mass
205.05390666
Names & identifiers
Preferred name
2-(3-Fluoroquinolin-5-yl)acetic acid
IUPAC
2-(3-fluoroquinolin-5-yl)acetic acid
Database identifiers
PubChem CID
68754262
Properties
Computed structural properties
XLogP
1.8
Topological polar surface area
50.2 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
4
Rotatable bonds
2
Heavy atoms
15
Formal charge
0
Complexity
247
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Related reactions
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As solvent
HRID
203924
As reactant
Training data from https://doi.org/10.1039/C8SC04228D (6/10)
Compound notes
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