2-[2-(4-Chlorophenyl)acetyl]benzoic acid

C₁₅H₁₁ClO₃CAS 53242-76-5274.70 g/mol

Open in Covalent MOL file

Aryl halide Carboxylic acid Ketone

Properties

Molecular formula: C₁₅H₁₁ClO₃
Molar mass: 274.70 g/mol
Exact mass: 274.0397 Da
logP: 3.46Crippen estimate
Polar surface area: 54.4 Å²
H-bond donors / acceptors: 1 / 2
Rotatable bonds: 4

Identifiers

CAS number

53242-76-5

SMILES

O=C(O)c1ccccc1C(=O)Cc1ccc(Cl)cc1

InChIKey

BDSINYHJZLINDJ-UHFFFAOYSA-N

InChI

InChI=1S/C15H11ClO3/c16-11-7-5-10(6-8-11)9-14(17)12-3-1-2-4-13(12)15(18)19/h1-8H,9H2,(H,18,19)

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Names and synonyms

4 names

Benzoic acid, 2-[2-(4-chlorophenyl)acetyl]-
Benzoic acid, 2-[(4-chlorophenyl)acetyl]-
2-(p-Chlorophenylacetyl)benzoic acid
2-((4-Chlorophenyl)acetyl)benzoic acid

Work with 2-[2-(4-Chlorophenyl)acetyl]benzoic 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-(4-Chlorobenzoyl)benzoic acid85-56-357 % similar 1-(4-Chlorophenyl)-2-phenylethanone1889-71-054 % similar Phthalic acid88-99-352 % similar (4-Chlorophenyl)acetic acid1878-66-650 % similar Potassium phthalate29801-94-348 % similar Potassium hydrogen phthalate877-24-748 % similar Ammonium phthalate523-24-047 % similar Lobenzarit63329-53-347 % similar

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

Same formula

Chlorflurenol methyl2536-31-4

Elsewhere

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