1.0 2016-06-03 13:39:34 UTC 2026-08-24 02:46:51 UTC 4 - Chlorsalicylsäure SmallMolecule 4 - Chlorsalicylsäure belongs to the benzoic acids and derivatives, a subclass of benzene and substituted derivatives within the organic compounds. It is a benzenoid with the formula C7H5ClO3 and an average molecular weight of 172.56 g/mol. C7H5ClO3 172.56 171.9927217 4-chloro-2-hydroxybenzoic acid 4-chloro-2-hydroxybenzoic acid 5106-98-9 OC(=O)C1=C(O)C=C(Cl)C=C1 InChI=1S/C7H5ClO3/c8-4-1-2-5(7(10)11)6(9)3-4/h1-3,9H,(H,10,11) LWXFCZXRFBUOOR-UHFFFAOYSA-N Organic compounds Benzenoids Benzene and substituted derivatives Benzoic acids and derivatives Salicylic acids 1-hydroxy-2-unsubstituted benzenoids 1-hydroxy-4-unsubstituted benzenoids 4-halobenzoic acids Aryl chlorides Benzoic acids Benzoyl derivatives Carboxylic acids Chlorobenzenes Halobenzoic acids Hydrocarbon derivatives M-chlorophenols Monocarboxylic acids and derivatives Organic oxides Organochlorides Organooxygen compounds Vinylogous acids 1-hydroxy-2-unsubstituted benzenoid 1-hydroxy-4-unsubstituted benzenoid 3-chlorophenol 3-halophenol 4-halobenzoic acid 4-halobenzoic acid or derivatives Aromatic homomonocyclic compound Aryl chloride Aryl halide Benzoic acid Benzoyl Carboxylic acid Carboxylic acid derivative Chlorobenzene Halobenzene Halobenzoic acid Halobenzoic acid or derivatives Hydrocarbon derivative Monocarboxylic acid or derivatives Organic oxide Organic oxygen compound Organochloride Organohalogen compound Organooxygen compound Phenol Salicylic acid Vinylogous acid Aromatic homomonocyclic compounds Detected and Not Quantified logp 3.1 logp 2.73 ALOGPS logs -1.94 ALOGPS solubility 1.97e+00 g/l ALOGPS logp 2.58 ChemAxon pka_strongest_acidic 2.78 ChemAxon pka_strongest_basic -6.6 ChemAxon iupac 4-chloro-2-hydroxybenzoic acid ChemAxon average_mass 172.56 ChemAxon mono_mass 171.9927217 ChemAxon smiles OC(=O)C1=C(O)C=C(Cl)C=C1 ChemAxon formula C7H5ClO3 ChemAxon inchi InChI=1S/C7H5ClO3/c8-4-1-2-5(7(10)11)6(9)3-4/h1-3,9H,(H,10,11) ChemAxon inchikey LWXFCZXRFBUOOR-UHFFFAOYSA-N ChemAxon polar_surface_area 57.53 ChemAxon refractivity 40.1 ChemAxon polarizability 15.11 ChemAxon rotatable_bond_count 1 ChemAxon acceptor_count 3 ChemAxon donor_count 2 ChemAxon physiological_charge -1 ChemAxon formal_charge 0 ChemAxon #<HealthEffect::ActiveRecord_Associations_CollectionProxy:0x00007f3bb405a798> 78782 71120