369-86-8
3-AMINO-4-[[[3-(TRIFLUOROMETHYL)PHENYL]AMINO]CARBONYL]-BENZOIC ACID
Name3-AMINO-4-[[[3-(TRIFLUOROMETHYL)PHENYL]AMINO]CARBONYL]-BENZOIC ACID
1Identification
【Name】
3-AMINO-4-[[[3-(TRIFLUOROMETHYL)PHENYL]AMINO]CARBONYL]-BENZOIC ACID
【CAS】
【MDL】
MFCD17015630
【English Synonyms】
【Formula】
C15 H11 F3 N2 O3
【MolWeight】
324.257
【Inchi】
InChI=1S/C15H11F3N2O3/c16-15(17,18)9-2-1-3-10(7-9)20-13(21)11-5-4-8(14(22)23)6-12(11)19/h1-7H,19H2,(H,20,21)(H,22,23)
【InChIKey】
InChIKey=YBLGXYVPDHFQIG-UHFFFAOYSA-N
【SMILES】
c1cc(cc(c1)NC(=O)c2ccc(cc2N)C(=O)O)C(F)(F)F
【MOL File】
3-AMINO-4-[[[3-(TRIF….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:3
H bond acceptor:5
XLogP3:3.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
3-AMINO-4-[[[3-(TRIFLUOROMETHYL)PHENYL]AMINO]CARBONYL]-BENZOIC ACID.cml