1.0 2016-06-03 12:16:02 UTC 2026-08-23 19:42:39 UTC isobutyl (S)-2-chloropropionate SmallMolecule isobutyl (S)-2-chloropropionate is an organic compound with the formula C7H13ClO2 and an average molecular weight of 164.63 g/mol. isobutyl (S)-2-chloropropionate belongs to the alpha-halocarboxylic acids and derivatives, a subclass of carboxylic acids and derivatives within the organic compounds. This substance has been found in or released from one recorded source: drinking water & water supply (drinking water). The recorded exposure route for this compound is oral. C7H13ClO2 164.63 164.0604074 2-methylpropyl (2S)-2-chloropropanoate 2-methylpropyl (2S)-2-chloropropanoate 83261-15-8 [H][C@@](C)(Cl)C(=O)OCC(C)C InChI=1S/C7H13ClO2/c1-5(2)4-10-7(9)6(3)8/h5-6H,4H2,1-3H3/t6-/m0/s1 AEEGJNJYJCGJFZ-LURJTMIESA-N Organic compounds Organic acids and derivatives Carboxylic acids and derivatives Alpha-halocarboxylic acids and derivatives Alpha-halocarboxylic acid derivatives Alkyl chlorides Carbonyl compounds Carboxylic acid esters Hydrocarbon derivatives Monocarboxylic acids and derivatives Organic oxides Organochlorides Aliphatic acyclic compound Alkyl chloride Alkyl halide Alpha-halocarboxylic acid derivative Carbonyl group Carboxylic acid ester Hydrocarbon derivative Monocarboxylic acid or derivatives Organic oxide Organic oxygen compound Organochloride Organohalogen compound Organooxygen compound Aliphatic acyclic compounds Detected and Not Quantified logp 2.5 logp 2.41 ALOGPS logs -2.04 ALOGPS solubility 1.51e+00 g/l ALOGPS logp 2.27 ChemAxon pka_strongest_basic -7.3 ChemAxon iupac 2-methylpropyl (2S)-2-chloropropanoate ChemAxon average_mass 164.63 ChemAxon mono_mass 164.0604074 ChemAxon smiles [H][C@@](C)(Cl)C(=O)OCC(C)C ChemAxon formula C7H13ClO2 ChemAxon inchi InChI=1S/C7H13ClO2/c1-5(2)4-10-7(9)6(3)8/h5-6H,4H2,1-3H3/t6-/m0/s1 ChemAxon inchikey AEEGJNJYJCGJFZ-LURJTMIESA-N ChemAxon polar_surface_area 26.3 ChemAxon refractivity 40.4 ChemAxon polarizability 17.23 ChemAxon rotatable_bond_count 4 ChemAxon acceptor_count 1 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon #<HealthEffect::ActiveRecord_Associations_CollectionProxy:0x00007f726cc5c318> 157891 138921