1.0 2016-06-03 12:28:26 UTC 2026-03-27 01:27:37 UTC N-benzyl-2-bromo-3-methoxypropanamide SmallMolecule N-benzyl-2-bromo-3-methoxypropanamide belongs to the benzene and substituted derivatives, a class of benzenoids within the organic compounds. This compound has the formula C11H14BrNO2 and an average molecular weight of 272.14 g/mol. It has been found in or released from one recorded source, which is drinking water and water supply (drinking water). The recorded exposure route for this substance is oral. C11H14BrNO2 272.142 271.020792 N-benzyl-2-bromo-3-methoxypropanimidic acid N-benzyl-2-bromo-3-methoxypropanimidic acid 705283-58-5 COCC(Br)C(O)=NCC1=CC=CC=C1 InChI=1S/C11H14BrNO2/c1-15-8-10(12)11(14)13-7-9-5-3-2-4-6-9/h2-6,10H,7-8H2,1H3,(H,13,14) ZNDWHVGHGXQGDS-UHFFFAOYSA-N Organic compounds Benzenoids Benzene and substituted derivatives Benzene and substituted derivatives Alkyl bromides Carbonyl compounds Dialkyl ethers Hydrocarbon derivatives Organic oxides Organobromides Organonitrogen compounds Organopnictogen compounds Secondary carboxylic acid amides Alkyl bromide Alkyl halide Aromatic homomonocyclic compound Carbonyl group Carboxamide group Carboxylic acid derivative Dialkyl ether Ether Hydrocarbon derivative Monocyclic benzene moiety Organic nitrogen compound Organic oxide Organic oxygen compound Organobromide Organohalogen compound Organonitrogen compound Organooxygen compound Organopnictogen compound Secondary carboxylic acid amide Aromatic homomonocyclic compounds Detected and Not Quantified logp 2.24 ALOGPS logs -3.43 ALOGPS solubility 1.00e-01 g/l ALOGPS logp 1.83 ChemAxon pka_strongest_acidic 2.42 ChemAxon pka_strongest_basic 4.68 ChemAxon iupac N-benzyl-2-bromo-3-methoxypropanimidic acid ChemAxon average_mass 272.142 ChemAxon mono_mass 271.020792 ChemAxon smiles COCC(Br)C(O)=NCC1=CC=CC=C1 ChemAxon formula C11H14BrNO2 ChemAxon inchi InChI=1S/C11H14BrNO2/c1-15-8-10(12)11(14)13-7-9-5-3-2-4-6-9/h2-6,10H,7-8H2,1H3,(H,13,14) ChemAxon inchikey ZNDWHVGHGXQGDS-UHFFFAOYSA-N ChemAxon polar_surface_area 41.82 ChemAxon refractivity 63.02 ChemAxon polarizability 24.97 ChemAxon rotatable_bond_count 5 ChemAxon acceptor_count 3 ChemAxon donor_count 1 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon #<HealthEffect::ActiveRecord_Associations_CollectionProxy:0x00007f7226e19390> 67361339 29303353