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

C₁₃H₉FO₂CAS 1841-58-3216.21 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
Density: 1.42 g/mL
logP: 3.19Crippen estimate
Polar surface area: 37.3 Å²
H-bond donors / acceptors: 1 / 1
Rotatable bonds: 2

Identifiers

CAS number

1841-58-3

SMILES

O=C(O)c1ccc(-c2cccc(F)c2)cc1

InChIKey

SJIIGBFXZWSXJP-UHFFFAOYSA-N

InChI

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

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

Names and synonyms

3 names

[1,1′-Biphenyl]-4-carboxylic acid, 3′-fluoro-
4-Biphenylcarboxylic acid, 3′-fluoro-
3′-Fluorobiphenyl-4-carboxylic acid

Work with 3′-Fluoro[1,1′-biphenyl]-4-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

3-Fluorobenzoic acid455-38-966 % similar [1,1′-Biphenyl]-4-carboxylic acid92-92-265 % similar [1,1′-Biphenyl]-4,4′-dicarboxylic acid787-70-262 % similar [1,1′-Biphenyl]-3-carboxylic acid716-76-759 % similar 1,2,4,5-Tetrakis(4-carboxyphenyl)benzene1078153-58-855 % similar 3',4'-Dimethyl-biphenyl-4-carboxylic acid122294-09-154 % similar Terephthalic acid100-21-052 % similar 3,3′-Difluoro-1,1′-biphenyl396-64-552 % similar

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

Same formula

2'-Fluorobiphenyl-3-carboxylic acid103978-23-0 4′-Fluoro[1,1′-biphenyl]-3-carboxylic acid10540-39-3 3′-Fluoro[1,1′-biphenyl]-3-carboxylic acid168619-04-3 4′-Fluoro[1,1′-biphenyl]-2-carboxylic acid1841-57-2 4-Fluoro-4′-hydroxybenzophenone25913-05-7 4-Fluoro-3-phenoxybenzaldehyde68359-57-9

Elsewhere

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