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

C₁₃H₉FO₂CAS 1841-58-3216.21 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
Density: 1.42 g/mL
logP: 3.19Crippen estimate
Polar surface area: 37.3 Å²
H-bond donors / acceptors: 1 / 1
Rotatable bonds: 2

Hazards

Warning

H302 Harmful if swallowed50% of notifiers
H312 Harmful in contact with skin50% of notifiers
H315 Causes skin irritation50% of notifiers
H319 Causes serious eye irritation50% of notifiers
H332 Harmful if inhaled50% of notifiers
H335 May cause respiratory irritation50% of notifiers

Aggregated from 2 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

1841-58-3

SMILES

O=C(O)c1ccc(-c2cccc(F)c2)cc1

InChIKey

SJIIGBFXZWSXJP-UHFFFAOYSA-N

InChI

InChI=1S/C13H9FO2/c14-12-3-1-2-11(8-12)9-4-6-10(7-5-9)13(15)16/h1-8H,(H,15,16)

Weigh it out

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

Names and synonyms

3 names

[1,1′-Biphenyl]-4-carboxylic acid, 3′-fluoro-
4-Biphenylcarboxylic acid, 3′-fluoro-
3′-Fluorobiphenyl-4-carboxylic acid

Work with 3′-Fluoro[1,1′-biphenyl]-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

4'-Fluoro-biphenyl-4-carboxylic acid5731-10-271 % similar 3'-Chloro-biphenyl-4-carboxylic acid5728-43-866 % similar 3-Fluorobenzoic acid455-38-966 % similar (1,1'-Biphenyl)-4-carboxylic acid92-92-265 % similar 3'-Trifluoromethylbiphenyl-4-carboxylic acid195457-70-663 % similar [P-Terphenyl]-4,4''-dicarboxylic acid13653-84-462 % similar [1,1′-Biphenyl]-4,4′-dicarboxylic acid787-70-262 % similar [1,1':3',1'':3'',1'''-Quaterphenyl]-4,4'''-dicarboxylic acid,5',5''-bis(4-carboxyphenyl)-1383925-31-261 % 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 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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