4′-Fluoro[1,1′-biphenyl]-3-carboxylic acid

C₁₃H₉FO₂CAS 10540-39-3216.21 g/mol

Open in Covalent MOL file

Aryl halide Carboxylic acid

Properties

Molecular formula: C₁₃H₉FO₂
Molar mass: 216.21 g/mol
Exact mass: 216.0587 Da
logP: 3.19Crippen estimate
Polar surface area: 37.3 Å²
H-bond donors / acceptors: 1 / 1
Rotatable bonds: 2

Identifiers

CAS number

10540-39-3

SMILES

O=C(O)c1cccc(-c2ccc(F)cc2)c1

InChIKey

YUQPLNXKGVRIAJ-UHFFFAOYSA-N

InChI

InChI=1S/C13H9FO2/c14-12-6-4-9(5-7-12)10-2-1-3-11(8-10)13(15)16/h1-8H,(H,15,16)

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

4 names

[1,1′-Biphenyl]-3-carboxylic acid, 4′-fluoro-
3-Biphenylcarboxylic acid, 4′-fluoro-
3-(4-Fluorophenyl)benzoic acid
4′-Fluorobiphenyl-3-carboxylic acid

Work with 4′-Fluoro[1,1′-biphenyl]-3-carboxylic acid

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

[1,1′-Biphenyl]-3-carboxylic acid716-76-772 % similar 3-Fluorobenzoic acid455-38-969 % similar 3′-Chloro[1,1′-biphenyl]-3-carboxylic acid168619-06-561 % similar Isophthalic acid121-91-558 % similar 3′,4′-Dimethoxy[1,1′-biphenyl]-3-carboxylic acid676348-31-556 % similar [1,1′-Biphenyl]-4-carboxylic acid92-92-253 % similar 3-(Thien-2-yl)benzoic acid29886-63-353 % similar 3,5-Difluorobenzoic acid455-40-350 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

2'-Fluorobiphenyl-3-carboxylic acid103978-23-0 3′-Fluoro[1,1′-biphenyl]-3-carboxylic acid168619-04-3 4′-Fluoro[1,1′-biphenyl]-2-carboxylic acid1841-57-2 3′-Fluoro[1,1′-biphenyl]-4-carboxylic acid1841-58-3 4-Fluoro-4′-hydroxybenzophenone25913-05-7 4-Fluoro-3-phenoxybenzaldehyde68359-57-9

Elsewhere

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