Name: AER-271
Rating: 5 (10 reviews)

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sdf 文件

结构编辑

类似物检索

HIT ID:HIT212654009
Cas No:634913-39-6
常用名:AER-271
IUPAC:(2-{[3,5-bis(trifluoromethyl)phenyl]carbamoyl}-4-chlorophenoxy)phosphonic acid
IUPAC:(2-{[3,5-bis(trifluoromethyl)phenyl]carbamoyl}-4-chlorophenoxy)phosphonic acid
InChI key:WSHXPHFIHYXZKC-UHFFFAOYSA-N

分子式:C15H9ClF6NO5P
分子量:463.65
氢键供体数 (HBD):3
氢键受体数 (HBA):4
LogP:4.4674416
SMILES:OP(O)(=O)Oc1ccc(Cl)cc1C(=O)Nc1cc(cc(c1)C(F)(F)F)C(F)(F)F
SMILES:OP(O)(=O)Oc1ccc(Cl)cc1C(=O)Nc1cc(cc(c1)C(F)(F)F)C(F)(F)F

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