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2-(3-Fluoro-anilino)-4-methoxybenzoic acid (HCID 66646237)|Huagongshe
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Compound
2-(3-Fluoro-anilino)-4-methoxybenzoic acid
HCID
66646237
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Reactions
Basic information
Names & identifiers
Properties
Related reactions
Compound notes
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Basic information
Standard SMILES
COc1ccc(C(=O)O)c(Nc2cccc(F)c2)c1
InChIKey
FHRTXRHZYPJITM-UHFFFAOYSA-N
Molecular formula
C14H12FNO3
Average molar mass
261.25 g/mol
Names & identifiers
Preferred name
2-(3-Fluoro-anilino)-4-methoxybenzoic acid
IUPAC
2-(3-fluoroanilino)-4-methoxybenzoic acid
Names & synonyms
SCHEMBL296232
FHRTXRHZYPJITM-UHFFFAOYSA-N
2-(3-fluoro-anilino)-4-methoxybenzoic acid
Database identifiers
PubChem CID
66646237
Properties
Computed structural properties
XLogP
4.7
Topological polar surface area
58.6 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
5
Rotatable bonds
4
Heavy atoms
19
Formal charge
0
Complexity
313
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Related reactions
4 records
New reaction record
All
As reactant
As product
As reagent
As catalyst
As solvent
HRID
160484
As reactant
Training data from https://doi.org/10.1039/C8SC04228D (9/10)
HRID
287632
As product
Training data from https://doi.org/10.1039/C8SC04228D (8/10)
HRID
602313
As product
uspto-grants-2011_03
HRID
602314
As reactant
uspto-grants-2011_03
Compound notes
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