chempirical

2'-Fluorobiphenyl-4-carboxylic acid

C13H9FO2CAS 365-12-8216.21 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
365-12-8
SMILES
C1=CC=C(C(=C1)C2=CC=C(C=C2)C(=O)O)F
InChIKey
SLKZDWAZOKIEEU-UHFFFAOYSA-N
InChI
InChI=1S/C13H9FO2/c14-12-4-2-1-3-11(12)9-5-7-10(8-6-9)13(15)16/h1-8H,(H,15,16)

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Names and synonyms

1 names
  • 2'-Fluoro-biphenyl-4-carboxylic acid

Work with 2'-Fluorobiphenyl-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

2'-Chloro-biphenyl-4-carboxylic acid3808-93-361 % similar 2'-Trifluoromethylbiphenyl-4-carboxylic acid198205-79-761 % similar 1,2,4,5-Tetrakis(4-carboxyphenyl)benzene1078153-58-859 % similar [1,1′-Biphenyl]-4-carboxylic acid92-92-259 % similar [P-Terphenyl]-4,4''-dicarboxylic acid13653-84-457 % similar [1,1′-Biphenyl]-4,4′-dicarboxylic acid787-70-257 % similar 1-(2'-Fluoro-[1,1'-biphenyl]-4-yl)propan-1-one37989-92-756 % similar 9,10-Di(P-carboxyphenyl)anthracene42824-53-354 % 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-(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 2-(3-Fluorophenyl)benzoic Acid2094-03-3 4-Fluoro-4′-hydroxybenzophenone25913-05-7

Elsewhere

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