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

C13H9FO2CAS 10540-39-3216.21 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
logP
3.19Crippen estimate
Polar surface area
37.3 Ų
H-bond donors / acceptors
1 / 1
Rotatable bonds
2

Hazards

Warning
Irritant (GHS07)

Aggregated from 67 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P264, P264+P265, P270, P280, P301+P317, P305+P351+P338, P330, P337+P317, P501

Identifiers

CAS number
10540-39-3
SMILES
O=C(O)c1cccc(-c2ccc(F)cc2)c1
InChIKey
YUQPLNXKGVRIAJ-UHFFFAOYSA-N
InChI
InChI=1S/C13H9FO2/c14-12-6-4-9(5-7-12)10-2-1-3-11(8-10)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

4 names
  • [1,1′-Biphenyl]-3-carboxylic acid, 4′-fluoro-
  • 3-Biphenylcarboxylic acid, 4′-fluoro-
  • 3-(4-Fluorophenyl)benzoic acid
  • 4′-Fluorobiphenyl-3-carboxylic acid

Work with 4′-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

[1,1′-Biphenyl]-3-carboxylic acid716-76-772 % similar 3-Fluorobenzoic acid455-38-969 % similar 4'-Fluoro-biphenyl-4-carboxylic acid5731-10-269 % similar 4'-Chloro-biphenyl-3-carboxylic acid4655-10-169 % similar 4'-Methylbiphenyl-3-carboxylic acid147404-69-167 % similar 4'-Trifluoromethyl-biphenyl-3-carboxylic acid199528-28-466 % similar 4'-Methoxy-biphenyl-3-carboxylic acid725-05-362 % similar 3′-Chloro[1,1′-biphenyl]-3-carboxylic acid168619-06-561 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

2'-Fluorobiphenyl-3-carboxylic acid103978-23-0 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 2'-Fluorobiphenyl-4-carboxylic acid365-12-8

Elsewhere

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