883058-16-0
2-[[3,5-BIS(TRIFLUOROMETHYL)PHENYL]AMINO]-5-METHOXY-BENZOIC ACID
Name2-[[3,5-BIS(TRIFLUOROMETHYL)PHENYL]AMINO]-5-METHOXY-BENZOIC ACID
1Identification
【Name】
2-[[3,5-BIS(TRIFLUOROMETHYL)PHENYL]AMINO]-5-METHOXY-BENZOIC ACID
【CAS】
【MDL】
MFCD00175805
【English Synonyms】
【Formula】
C16 H11 F6 N O3
【MolWeight】
379.255
【Inchi】
InChI=1S/C16H11F6NO3/c1-26-11-2-3-13(12(7-11)14(24)25)23-10-5-8(15(17,18)19)4-9(6-10)16(20,21)22/h2-7,23H,1H3,(H,24,25)
【InChIKey】
InChIKey=KRMHQFNBQSFKHC-UHFFFAOYSA-N
【SMILES】
COc1ccc(c(c1)C(=O)O)Nc2cc(cc(c2)C(F)(F)F)C(F)(F)F
【MOL File】
2-[[3,5-BIS(TRIFLUOR….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:2
H bond acceptor:4
XLogP3:6.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
2-[[3,5-BIS(TRIFLUOROMETHYL)PHENYL]AMINO]-5-METHOXY-BENZOIC ACID.cml