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2-Fluoro-4-(pyridin-2-ylmethoxy)benzoic acid

HCID 68577376
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Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
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Basic information

Standard SMILES
O=C(O)c1ccc(OCc2ccccn2)cc1F
InChIKey
WRTUKRCEVXORED-UHFFFAOYSA-N
Molecular formula
C13H10FNO3
Average molar mass
247.22 g/mol

Names & identifiers

Preferred name
2-Fluoro-4-(pyridin-2-ylmethoxy)benzoic acid
IUPAC
2-fluoro-4-(pyridin-2-ylmethoxy)benzoic acid

Names & synonyms

SCHEMBL4318791DB-089930869108-43-0

Database identifiers

PubChem CID
68577376

Properties

Computed structural properties

XLogP
2
Topological polar surface area
59.4 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
5
Rotatable bonds
4
Heavy atoms
18
Formal charge
0
Complexity
287

Related reactions

1 records
New reaction record
HRID 199830 reaction equation
HRID 199830As reactantTraining data from https://doi.org/10.1039/C8SC04228D (6/10)

Compound notes

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