1.0 2016-06-03 11:05:23 UTC 2026-03-27 01:22:30 UTC Tribromophthalic acid SmallMolecule Tribromophthalic acid belongs to the benzoic acids and derivatives, a subclass of benzene and substituted derivatives within the organic compounds. It is a benzenoid with the chemical formula C8H3Br3O4 and an average molecular weight of 402.82 g/mol. C8H3Br3O4 402.82 399.758148 3,4,5-tribromobenzene-1,2-dicarboxylic acid 3,4,5-tribromobenzene-1,2-dicarboxylic acid 92766-08-0 OC(=O)C1=CC(Br)=C(Br)C(Br)=C1C(O)=O InChI=1S/C8H3Br3O4/c9-3-1-2(7(12)13)4(8(14)15)6(11)5(3)10/h1H,(H,12,13)(H,14,15) QESKOPIDDXNYFS-UHFFFAOYSA-N Organic compounds Benzenoids Benzene and substituted derivatives Benzoic acids and derivatives Halobenzoic acids 1-carboxy-2-haloaromatic compounds 2-halobenzoic acids 3-halobenzoic acids 4-halobenzoic acids Aryl bromides Benzoic acids Benzoyl derivatives Bromobenzenes Dicarboxylic acids and derivatives Hydrocarbon derivatives Organic oxides Organobromides Organooxygen compounds Vinylogous halides 1-carboxy-2-haloaromatic compound 2-halobenzoic acid 2-halobenzoic acid or derivatives 3-halobenzoic acid 3-halobenzoic acid or derivatives 4-halobenzoic acid 4-halobenzoic acid or derivatives Aromatic homomonocyclic compound Aryl bromide Aryl halide Benzoic acid Benzoyl Bromobenzene Carboxylic acid Carboxylic acid derivative Dicarboxylic acid or derivatives Halobenzene Halobenzoic acid Hydrocarbon derivative Organic oxide Organic oxygen compound Organobromide Organohalogen compound Organooxygen compound Vinylogous halide Aromatic homomonocyclic compounds Detected and Not Quantified logp 3.27 ALOGPS logs -4.25 ALOGPS solubility 2.25e-02 g/l ALOGPS logp 3.59 ChemAxon pka_strongest_acidic 2.13 ChemAxon iupac 3,4,5-tribromobenzene-1,2-dicarboxylic acid ChemAxon average_mass 402.82 ChemAxon mono_mass 399.758148 ChemAxon smiles OC(=O)C1=CC(Br)=C(Br)C(Br)=C1C(O)=O ChemAxon formula C8H3Br3O4 ChemAxon inchi InChI=1S/C8H3Br3O4/c9-3-1-2(7(12)13)4(8(14)15)6(11)5(3)10/h1H,(H,12,13)(H,14,15) ChemAxon inchikey QESKOPIDDXNYFS-UHFFFAOYSA-N ChemAxon polar_surface_area 74.6 ChemAxon refractivity 63.44 ChemAxon polarizability 24.96 ChemAxon rotatable_bond_count 2 ChemAxon acceptor_count 4 ChemAxon donor_count 2 ChemAxon physiological_charge -2 ChemAxon formal_charge 0 ChemAxon #<HealthEffect::ActiveRecord_Associations_CollectionProxy:0x00007f7227c40978> 15709947