1.0 2018-10-03 16:33:24 UTC 2020-06-04 18:57:38 UTC BMDB0063612 BMDB63612 o,p′-DDT o,p′-DDT or 1,1,1-Trichloro-2-(o-chlorophenyl)-2-(p-chlorophenyl)ethane is a diarylmethane. O,P'-DDT 2-(2-Chlorophenyl)-2-(4-chlorophenyl)-1,1,1-trichloroethane O,p-DDT 1,1,1-Trichloro-2-(2-chlorophenyl)-2-(4-chlorophenyl)ethane O,P'-dichlorodiphenyltrichloroethane 2,4'-DDT O,P'-DDT, (R)-isomer C14H9Cl5 354.486 351.914688823 1-chloro-2-[2,2,2-trichloro-1-(4-chlorophenyl)ethyl]benzene 1-chloro-2-[2,2,2-trichloro-1-(4-chlorophenyl)ethyl]benzene 789-02-6 ClC1=CC=C(C=C1)C(C1=CC=CC=C1Cl)C(Cl)(Cl)Cl InChI=1S/C14H9Cl5/c15-10-7-5-9(6-8-10)13(14(17,18)19)11-3-1-2-4-12(11)16/h1-8,13H CVUGPAFCQJIYDT-UHFFFAOYSA-N belongs to the class of organic compounds known as diphenylmethanes. Diphenylmethanes are compounds containing a diphenylmethane moiety, which consists of a methane wherein two hydrogen atoms are replaced by two phenyl groups. Organic compounds Benzenoids Benzene and substituted derivatives Diphenylmethanes Diphenylmethanes Alkyl chlorides Aryl chlorides Chlorobenzenes Hydrocarbon derivatives Organochlorides Alkyl chloride Alkyl halide Aromatic homomonocyclic compound Aryl chloride Aryl halide Chlorobenzene Diphenylmethane Halobenzene Hydrocarbon derivative Organochloride Organohalogen compound Aromatic homomonocyclic compounds diarylmethane logp 6.60 ALOGPS logs -8.11 ALOGPS logp 6.46 ChemAxon iupac 1-chloro-2-[2,2,2-trichloro-1-(4-chlorophenyl)ethyl]benzene ChemAxon average_mass 354.486 ChemAxon mono_mass 351.914688823 ChemAxon smiles ClC1=CC=C(C=C1)C(C1=CC=CC=C1Cl)C(Cl)(Cl)Cl ChemAxon formula C14H9Cl5 ChemAxon inchi InChI=1S/C14H9Cl5/c15-10-7-5-9(6-8-10)13(14(17,18)19)11-3-1-2-4-12(11)16/h1-8,13H ChemAxon inchikey CVUGPAFCQJIYDT-UHFFFAOYSA-N ChemAxon polar_surface_area 0 ChemAxon refractivity 85.32 ChemAxon polarizability 31.82 ChemAxon rotatable_bond_count 3 ChemAxon acceptor_count 0 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon number_of_rings 2 ChemAxon bioavailability 1 ChemAxon rule_of_five Yes ChemAxon ghose_filter Yes ChemAxon veber_rule Yes ChemAxon mddr_like_rule Yes ChemAxon Specdb::CMs 109283 Specdb::CMs 122030 Specdb::NmrOneD 2645 Specdb::NmrOneD 3332 Specdb::EiMs 120 Specdb::MsMs 46197 Specdb::MsMs 46198 Specdb::MsMs 46199 Specdb::MsMs 150915 Specdb::MsMs 150916 Specdb::MsMs 150917 Specdb::MsMs 3388201 Specdb::MsMs 3388202 Specdb::MsMs 3388203 Specdb::MsMs 3407389 Specdb::MsMs 3407390 Specdb::MsMs 3407391 Milk 0.00169 +/- 0.00592 uM Raw bovine milk from Haryana (n=147) Sharma HR, Kaushik A, Kaushik CP: Pesticide residues in bovine milk from a predominantly agricultural state of Haryana, India. Environ Monit Assess. 2007 Jun;129(1-3):349-57. doi: 10.1007/s10661-006-9368-5. Epub 2006 Dec 16. 17180431 FDB097415 12543 13089 C14187 Sharma HR, Kaushik A, Kaushik CP: Pesticide residues in bovine milk from a predominantly agricultural state of Haryana, India. Environ Monit Assess. 2007 Jun;129(1-3):349-57. doi: 10.1007/s10661-006-9368-5. Epub 2006 Dec 16. 17180431