565191-92-6
3-(4-BENZYL-3-OXO-7-TRIFLUOROMETHYL-3,4-DIHYDRO-QUINOXALIN-2-YL)-PROPIONIC ACID
Name3-(4-BENZYL-3-OXO-7-TRIFLUOROMETHYL-3,4-DIHYDRO-QUINOXALIN-2-YL)-PROPIONIC ACID
1Identification
【Name】
3-(4-BENZYL-3-OXO-7-TRIFLUOROMETHYL-3,4-DIHYDRO-QUINOXALIN-2-YL)-PROPIONIC ACID
【CAS】
【MDL】
MFCD03964648
【English Synonyms】
【Formula】
C19 H15 F3 N2 O3
【MolWeight】
376.332
【Inchi】
InChI=1S/C19H15F3N2O3/c20-19(21,22)13-6-8-16-15(10-13)23-14(7-9-17(25)26)18(27)24(16)11-12-4-2-1-3-5-12/h1-6,8,10H,7,9,11H2,(H,25,26)
【InChIKey】
InChIKey=XNLWFJQKWREPDJ-UHFFFAOYSA-N
【SMILES】
c1ccc(cc1)Cn2c3ccc(cc3nc(c2=O)CCC(=O)O)C(F)(F)F
【MOL File】
3-(4-BENZYL-3-OXO-7-….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:5
XLogP3:3.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
3-(4-BENZYL-3-OXO-7-TRIFLUOROMETHYL-3,4-DIHYDRO-QUINOXALIN-2-YL)-PROPIONIC ACID.cml