chempirical

4′-Fluoro[1,1′-biphenyl]-2-carboxylic acid

C13H9FO2CAS 1841-57-2216.21 g/mol

Open in Covalent MOL file
OHOF
Aryl halideCarboxylic acid

Properties

Molecular formula
C13H9FO2
Molar mass
216.21 g/mol
Exact mass
216.0587 Da
Melting point
above 225 °C
logP
3.19Crippen estimate
Polar surface area
37.3 Ų
H-bond donors / acceptors
1 / 1
Rotatable bonds
2

Identifiers

CAS number
1841-57-2
SMILES
O=C(O)c1ccccc1-c1ccc(F)cc1
InChIKey
LGVNEKHPDXUTKA-UHFFFAOYSA-N
InChI
InChI=1S/C13H9FO2/c14-10-7-5-9(6-8-10)11-3-1-2-4-12(11)13(15)16/h1-8H,(H,15,16)

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

Names and synonyms

5 names
  • [1,1′-Biphenyl]-2-carboxylic acid, 4′-fluoro-
  • 2-Biphenylcarboxylic acid, 4′-fluoro-
  • 2-(4-Fluorophenyl)benzoic acid
  • 4′-Fluoro-2-biphenylcarboxylic acid
  • 4′-Fluoro-1,1′-biphenyl-2-carboxylic acid

Work with 4′-Fluoro[1,1′-biphenyl]-2-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-Biphenyl-2-carboxylic acid947-84-271 % similar 4′-Methyl[1,1′-biphenyl]-2-carboxylic acid7148-03-066 % similar 4′-(Trifluoromethyl)[1,1′-biphenyl]-2-carboxylic acid84392-17-665 % similar 2-(4-Fluorobenzoyl)benzoic acid7649-92-559 % similar Phthalic acid88-99-353 % similar 2-Fluorobenzoic acid445-29-453 % similar 2,4-Difluorobenzoic acid1583-58-049 % similar 2,5-Difluorobenzoic acid2991-28-849 % 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 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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