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XG3

概要
表記:N-(5-chloro-2-hydroxyphenyl)-N'-[2-chloro-5-(trifluoromethyl)phenyl]urea
組成式:C14 H9 Cl2 F3 N2 O2
電荷:0
化学式量:365.135 Da
分子種別:non-polymer

化合物名

プログラムバージョン表記
ACDLabs12.01N-(5-chloro-2-hydroxyphenyl)-N'-[2-chloro-5-(trifluoromethyl)phenyl]urea
OpenEye OEToolkits2.0.71-(5-chloranyl-2-oxidanyl-phenyl)-3-[2-chloranyl-5-(trifluoromethyl)phenyl]urea

化合物記述子(線形表記)

種別プログラムバージョン表記
SMILESACDLabs12.01Clc1ccc(cc1NC(=O)Nc1cc(Cl)ccc1O)C(F)(F)F
InChIInChI1.06InChI=1S/C14H9Cl2F3N2O2/c15-8-2-4-12(22)11(6-8)21-13(23)20-10-5-7(14(17,18)19)1-3-9(10)16/h1-6,22H,(H2,20,21,23)
InChIKeyInChI1.06OUDXRNQPVSMGDW-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385Oc1ccc(Cl)cc1NC(=O)Nc2cc(ccc2Cl)C(F)(F)F
SMILESCACTVS3.385Oc1ccc(Cl)cc1NC(=O)Nc2cc(ccc2Cl)C(F)(F)F
SMILES_CANONICALOpenEye OEToolkits2.0.7c1cc(c(cc1C(F)(F)F)NC(=O)Nc2cc(ccc2O)Cl)Cl
SMILESOpenEye OEToolkits2.0.7c1cc(c(cc1C(F)(F)F)NC(=O)Nc2cc(ccc2O)Cl)Cl

252816

件を2026-04-29に公開中

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