1.0 2010-04-08 22:14:37 UTC 2015-07-21 06:39:05 UTC FDB019844 2-Bromo-1H-indole-3-carboxaldehyde Plant growth enhancer for rice. Prob. of no coml. significance 2-Bromo-3-formylindole Gbetagamma Modulator I, M119 C9H6BrNO 224.054 222.963276466 2-bromo-1H-indole-3-carbaldehyde 2-bromo-1H-indole-3-carbaldehyde 119910-45-1 BrC1=C(C=O)C2=CC=CC=C2N1 InChI=1S/C9H6BrNO/c10-9-7(5-12)6-3-1-2-4-8(6)11-9/h1-5,11H WIRLVLFYTTULCM-UHFFFAOYSA-N belongs to the class of organic compounds known as indoles. Indoles are compounds containing an indole moiety, which consists of pyrrole ring fused to benzene to form 2,3-benzopyrrole. Indoles Organic compounds Organoheterocyclic compounds Indoles and derivatives Indoles Aromatic heteropolycyclic compounds Aryl bromides Aryl-aldehydes Azacyclic compounds Benzenoids Heteroaromatic compounds Hydrocarbon derivatives Organic oxides Organobromides Organonitrogen compounds Organopnictogen compounds Substituted pyrroles Vinylogous amides Vinylogous halides Aldehyde Aromatic heteropolycyclic compound Aryl bromide Aryl halide Aryl-aldehyde Azacycle Benzenoid Heteroaromatic compound Hydrocarbon derivative Indole Organic nitrogen compound Organic oxide Organic oxygen compound Organobromide Organohalogen compound Organonitrogen compound Organooxygen compound Organopnictogen compound Pyrrole Substituted pyrrole Vinylogous amide Vinylogous halide logp 2.55 ALOGPS logs -2.46 ALOGPS solubility 7.86e-01 g/l ALOGPS logp 2.25 ChemAxon pka_strongest_acidic 11.56 ChemAxon pka_strongest_basic -7.4 ChemAxon iupac 2-bromo-1H-indole-3-carbaldehyde ChemAxon average_mass 224.054 ChemAxon mono_mass 222.963276466 ChemAxon smiles BrC1=C(C=O)C2=CC=CC=C2N1 ChemAxon formula C9H6BrNO ChemAxon inchi InChI=1S/C9H6BrNO/c10-9-7(5-12)6-3-1-2-4-8(6)11-9/h1-5,11H ChemAxon inchikey WIRLVLFYTTULCM-UHFFFAOYSA-N ChemAxon polar_surface_area 32.86 ChemAxon refractivity 51.13 ChemAxon polarizability 18.48 ChemAxon rotatable_bond_count 1 ChemAxon acceptor_count 1 ChemAxon donor_count 1 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 18632 Specdb::CMs 149851 Specdb::MsMs 307339 Specdb::MsMs 307340 Specdb::MsMs 307341 Specdb::MsMs 351268 Specdb::MsMs 351269 Specdb::MsMs 351270 Specdb::MsMs 2448958 Specdb::MsMs 2448959 Specdb::MsMs 2448960 Specdb::MsMs 2486835 Specdb::MsMs 2486836 Specdb::MsMs 2486837 HMDB40147 #<Reference:0x000055ce31f24478>