1.0 2010-04-08 22:14:40 UTC 2015-07-21 06:39:56 UTC FDB019900 1,1-Dibromo-2-propanone Minor component of the essential oil of the edible Hawaiian red alga Asparagopsis taxiformis and of Falkenbergia rufolanosa 1,1-Dibromoacetone 1,1-dibromopropanone 1,1-dibromopropanone 1,1-dibromoacetone C3H4Br2O 215.871 213.862890044 1,1-dibromopropan-2-one 1,1-dibromopropan-2-one 867-54-9 CC(=O)C(Br)Br InChI=1S/C3H4Br2O/c1-2(6)3(4)5/h3H,1H3 ZABBFAHZPHMIJC-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 Hydrocarbon derivatives Organic oxides Organobromides Aliphatic acyclic compound Alkyl bromide Alkyl halide Alpha-haloketone Hydrocarbon derivative Organic oxide Organobromide Organohalogen compound logp 1.35 ALOGPS logs -1.63 ALOGPS solubility 5.12e+00 g/l ALOGPS logp 1.12 ChemAxon pka_strongest_acidic 16.26 ChemAxon pka_strongest_basic -7.8 ChemAxon iupac 1,1-dibromopropan-2-one ChemAxon average_mass 215.871 ChemAxon mono_mass 213.862890044 ChemAxon smiles CC(=O)C(Br)Br ChemAxon formula C3H4Br2O ChemAxon inchi InChI=1S/C3H4Br2O/c1-2(6)3(4)5/h3H,1H3 ChemAxon inchikey ZABBFAHZPHMIJC-UHFFFAOYSA-N ChemAxon polar_surface_area 17.07 ChemAxon refractivity 31.8 ChemAxon polarizability 12.59 ChemAxon rotatable_bond_count 1 ChemAxon acceptor_count 1 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 22562 Specdb::CMs 155572 Specdb::MsMs 101649 Specdb::MsMs 101650 Specdb::MsMs 101651 Specdb::MsMs 167298 Specdb::MsMs 167299 Specdb::MsMs 167300 Specdb::MsMs 2452834 Specdb::MsMs 2452835 Specdb::MsMs 2452836 Specdb::MsMs 2482468 Specdb::MsMs 2482469 Specdb::MsMs 2482470 Specdb::NmrOneD 38902 Specdb::NmrOneD 38903 Specdb::NmrOneD 38904 Specdb::NmrOneD 38905 Specdb::NmrOneD 38906 Specdb::NmrOneD 38907 Specdb::NmrOneD 38908 Specdb::NmrOneD 38909 Specdb::NmrOneD 38910 Specdb::NmrOneD 38911 Specdb::NmrOneD 38912 Specdb::NmrOneD 38913 Specdb::NmrOneD 38914 Specdb::NmrOneD 38915 Specdb::NmrOneD 38916 Specdb::NmrOneD 38917 Specdb::NmrOneD 38918 Specdb::NmrOneD 38919 Specdb::NmrOneD 38920 Specdb::NmrOneD 38921 HMDB40188 #<Reference:0x000055ce3187ab90>