522624-58-4
3-METHOXY-4-[(3-TRIFLUOROMETHYL-PHENYLCARBAMOYL)-METHOXY]-BENZOIC ACID
Name3-METHOXY-4-[(3-TRIFLUOROMETHYL-PHENYLCARBAMOYL)-METHOXY]-BENZOIC ACID
pro_formulaC17 H14 F3 N O5
1Identification
【Name】
3-METHOXY-4-[(3-TRIFLUOROMETHYL-PHENYLCARBAMOYL)-METHOXY]-BENZOIC ACID
【CAS】
【MDL】
MFCD03651694
【中文同义词】
【EnglishSynonyms】
【pro_formula】
C17 H14 F3 N O5
【pro_molWeight】
369.294
【Inchi】
InChI=1S/C17H14F3NO5/c1-25-14-7-10(16(23)24)5-6-13(14)26-9-15(22)21-12-4-2-3-11(8-12)17(18,19)20/h2-8H,9H2,1H3,(H,21,22)(H,23,24)
【InChIKey】
InChIKey=COZRDRYIMOFRFC-UHFFFAOYSA-N
【SMILES】
COc1cc(ccc1OCC(=O)Nc2cccc(c2)C(F)(F)F)C(=O)O
【MOL File】
3-METHOXY-4-[(3-TRIF….mol
2ChemicalProperties
【ComputedProperties】
pro_donors:2
pro_acceptors:6
XLogP3:3.0
Bulk/Fine:F
3MaterialMSDS
4CMLFile
3-METHOXY-4-[(3-TRIFLUOROMETHYL-PHENYLCARBAMOYL)-METHOXY]-BENZOIC ACID.cml