1.0 2010-04-08 22:14:40 UTC 2015-07-21 06:39:56 UTC FDB019901 1,1-Dibromo-3-iodo-2-propanone Minor component of the essential oil of the edible Hawaiian red algae, Asparagopsis taxiformis and Asparagopsis armata 1,1-Dibromo-3-iodoacetone C3H3Br2IO 341.768 339.759533432 1,1-dibromo-3-iodopropan-2-one 1,1-dibromo-3-iodopropan-2-one 59227-99-5 BrC(Br)C(=O)CI InChI=1S/C3H3Br2IO/c4-3(5)2(7)1-6/h3H,1H2 UDPFVNCNMONXIZ-UHFFFAOYSA-N belongs to the class of organic compounds known as alpha-haloketones. These are organic compounds contaning a halogen atom attached to the alpha carbon atom relative to C=O group. Alpha-haloketones Organic compounds Organic oxygen compounds Organooxygen compounds Carbonyl compounds Aliphatic acyclic compounds Alkyl bromides Alkyl iodides Hydrocarbon derivatives Organic oxides Organobromides Organoiodides Aliphatic acyclic compound Alkyl bromide Alkyl halide Alkyl iodide Alpha-haloketone Hydrocarbon derivative Organic oxide Organobromide Organohalogen compound Organoiodide logp 2.54 ALOGPS logs -3.03 ALOGPS solubility 3.16e-01 g/l ALOGPS logp 2.04 ChemAxon pka_strongest_acidic 15.3 ChemAxon pka_strongest_basic -8 ChemAxon iupac 1,1-dibromo-3-iodopropan-2-one ChemAxon average_mass 341.768 ChemAxon mono_mass 339.759533432 ChemAxon smiles BrC(Br)C(=O)CI ChemAxon formula C3H3Br2IO ChemAxon inchi InChI=1S/C3H3Br2IO/c4-3(5)2(7)1-6/h3H,1H2 ChemAxon inchikey UDPFVNCNMONXIZ-UHFFFAOYSA-N ChemAxon polar_surface_area 17.07 ChemAxon refractivity 44.89 ChemAxon polarizability 17.51 ChemAxon rotatable_bond_count 2 ChemAxon acceptor_count 1 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::MsMs 304651 Specdb::MsMs 304652 Specdb::MsMs 304653 Specdb::MsMs 347917 Specdb::MsMs 347918 Specdb::MsMs 347919 Specdb::MsMs 2730019 Specdb::MsMs 2730020 Specdb::MsMs 2730021 Specdb::MsMs 2975885 Specdb::MsMs 2975886 Specdb::MsMs 2975887 Specdb::CMs 17479 Specdb::CMs 173294 HMDB40189 #<Reference:0x000055ce30599c88>