436811-07-3
4-(8-FLUORO-3A,4,5,9B-TETRAHYDRO-3H-CYCLOPENTA[C]QUINOLIN-4-YL)-BENZOIC ACID
Name4-(8-FLUORO-3A,4,5,9B-TETRAHYDRO-3H-CYCLOPENTA[C]QUINOLIN-4-YL)-BENZOIC ACID
1Identification
【Name】
4-(8-FLUORO-3A,4,5,9B-TETRAHYDRO-3H-CYCLOPENTA[C]QUINOLIN-4-YL)-BENZOIC ACID
【CAS】
【MDL】
MFCD02226294
【English Synonyms】
【Formula】
C19 H16 F N O2
【MolWeight】
309.338
【Inchi】
InChI=1S/C19H16FNO2/c20-13-8-9-17-16(10-13)14-2-1-3-15(14)18(21-17)11-4-6-12(7-5-11)19(22)23/h1-2,4-10,14-15,18,21H,3H2,(H,22,23)
【InChIKey】
InChIKey=QZGKQUSGJHPTPW-UHFFFAOYSA-N
【SMILES】
c1cc(ccc1C2C3CC=CC3c4cc(ccc4N2)F)C(=O)O
【MOL File】
4-(8-FLUORO-3A,4,5,9….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:2
H bond acceptor:3
XLogP3:4.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
4-(8-FLUORO-3A,4,5,9B-TETRAHYDRO-3H-CYCLOPENTA[C]QUINOLIN-4-YL)-BENZOIC ACID.cml