chempirical

2'-Fluorobiphenyl-3-carboxylic acid

C13H9FO2CAS 103978-23-0216.21 g/mol

Open in Covalent MOL file
OOHF
Aryl halideCarboxylic 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 Ų
H-bond donors / acceptors
1 / 1
Rotatable bonds
2

Identifiers

CAS number
103978-23-0
SMILES
C1=CC=C(C(=C1)C2=CC(=CC=C2)C(=O)O)F
InChIKey
KJRAPRROUUCCPO-UHFFFAOYSA-N
InChI
InChI=1S/C13H9FO2/c14-12-7-2-1-6-11(12)9-4-3-5-10(8-9)13(15)16/h1-8H,(H,15,16)

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Work with 2'-Fluorobiphenyl-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

Ataluren775304-57-965 % similar [1,1′-Biphenyl]-3-carboxylic acid716-76-763 % similar 2′-Methoxy[1,1′-biphenyl]-3-carboxylic acid168618-47-160 % similar 3-Fluorobenzoic acid455-38-956 % similar Isophthalic acid121-91-555 % similar 3′-Chloro[1,1′-biphenyl]-3-carboxylic acid168619-06-554 % similar 3,4-Difluorobenzoic acid455-86-751 % similar 3-(Thien-2-yl)benzoic acid29886-63-350 % similar

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

Same formula

4′-Fluoro[1,1′-biphenyl]-3-carboxylic acid10540-39-3 4-(4-Fluorophenoxy)benzaldehyde137736-06-2 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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