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

C₁₃H₉FO₂CAS 168619-04-3216.21 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

168619-04-3

SMILES

O=C(O)c1cccc(-c2cccc(F)c2)c1

InChIKey

MZZYPWIFSCZUHN-UHFFFAOYSA-N

InChI

InChI=1S/C13H9FO2/c14-12-6-2-4-10(8-12)9-3-1-5-11(7-9)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

3 names

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

Work with 3′-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

3-Fluorobenzoic acid455-38-979 % similar [1,1′-Biphenyl]-3-carboxylic acid716-76-771 % similar 3′-Chloro[1,1′-biphenyl]-3-carboxylic acid168619-06-565 % similar Isophthalic acid121-91-562 % similar 3-(Thien-2-yl)benzoic acid29886-63-355 % similar 3′,4′-Dimethoxy[1,1′-biphenyl]-3-carboxylic acid676348-31-555 % similar 3,3′-Difluoro-1,1′-biphenyl396-64-554 % similar 3,5-Difluorobenzoic acid455-40-353 % 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 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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