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2-(4-Fluorobenzoyl)-naphthalene-3-carboxylic acid

HCID 23310940
NotesReactions
Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
Substructure searchFind similar structures

Basic information

Standard SMILES
O=C(O)c1cc2ccccc2cc1C(=O)c1ccc(F)cc1
InChIKey
UCLBXRIRHZKKNA-UHFFFAOYSA-N
Molecular formula
C18H11FO3
Average molar mass
294.3 g/mol

Names & identifiers

Preferred name
2-(4-Fluorobenzoyl)-naphthalene-3-carboxylic acid
IUPAC
3-(4-fluorobenzoyl)naphthalene-2-carboxylic acid

Names & synonyms

SCHEMBL10658248UCLBXRIRHZKKNA-UHFFFAOYSA-N2-(4-fluorobenzoyl)-naphthalene-3-carboxylic acid

Database identifiers

PubChem CID
23310940

Properties

Computed structural properties

XLogP
4.1
Topological polar surface area
54.4 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
4
Rotatable bonds
3
Heavy atoms
22
Formal charge
0
Complexity
428

Related reactions

6 records
New reaction record
HRID 169144 reaction equation
HRID 169144As productTraining data from https://doi.org/10.1039/C8SC04228D (9/10)
HRID 286661 reaction equation
HRID 286661As reactantTraining data from https://doi.org/10.1039/C8SC04228D (8/10)
HRID 745894 reaction equation
HRID 745894As productuspto-grants-1986_07
HRID 745895 reaction equation
HRID 745895As reactantuspto-grants-1986_07
HRID 800928 reaction equation
HRID 800928As productTest data from https://doi.org/10.1039/C8SC04228D
HRID 1248100 reaction equation
HRID 1248100As productuspto-grants-1985_06

Compound notes

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On this pageBasic informationNames & identifiersPropertiesRelated reactionsCompound notes