1.0 2016-06-03 11:04:42 UTC 2026-03-26 22:56:40 UTC pentabromobenzoic acid SmallMolecule Pentabromobenzoic acid (C7HBr5O2) is a benzenoid. Pentabromobenzoic acid belongs to the benzoic acids and derivatives, a subclass of benzene and substituted derivatives within the organic compounds. With an average molecular weight of 516.60 g/mol, pentabromobenzoic acid is a heavy molecule. C7HBr5O2 516.603 511.589344 pentabromobenzoic acid pentabromobenzoic acid 22230-43-9 OC(=O)C1=C(Br)C(Br)=C(Br)C(Br)=C1Br InChI=1S/C7HBr5O2/c8-2-1(7(13)14)3(9)5(11)6(12)4(2)10/h(H,13,14) DWSGWKLIVYONLK-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 Hydrocarbon derivatives Monocarboxylic acids and 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 Halobenzene Halobenzoic acid Hydrocarbon derivative Monocarboxylic acid or derivatives Organic oxide Organic oxygen compound Organobromide Organohalogen compound Organooxygen compound Vinylogous halide Aromatic homomonocyclic compounds Detected and Not Quantified logp 4.77 ALOGPS logs -5.65 ALOGPS solubility 1.17e-03 g/l ALOGPS logp 5.47 ChemAxon pka_strongest_acidic 2.08 ChemAxon iupac pentabromobenzoic acid ChemAxon average_mass 516.603 ChemAxon mono_mass 511.589344 ChemAxon smiles OC(=O)C1=C(Br)C(Br)=C(Br)C(Br)=C1Br ChemAxon formula C7HBr5O2 ChemAxon inchi InChI=1S/C7HBr5O2/c8-2-1(7(13)14)3(9)5(11)6(12)4(2)10/h(H,13,14) ChemAxon inchikey DWSGWKLIVYONLK-UHFFFAOYSA-N ChemAxon polar_surface_area 37.3 ChemAxon refractivity 71.43 ChemAxon polarizability 28.35 ChemAxon rotatable_bond_count 1 ChemAxon acceptor_count 2 ChemAxon donor_count 1 ChemAxon physiological_charge -1 ChemAxon formal_charge 0 ChemAxon #<HealthEffect::ActiveRecord_Associations_CollectionProxy:0x00007f7220dca340> 12346555 10722411