730992-47-9
6-(TRIFLUOROMETHYL)-1H,2H,3H,9H-PYRROLO[2,1-B]QUINAZOLIN-9-ONE
Name6-(TRIFLUOROMETHYL)-1H,2H,3H,9H-PYRROLO[2,1-B]QUINAZOLIN-9-ONE
1Identification
【Name】
6-(TRIFLUOROMETHYL)-1H,2H,3H,9H-PYRROLO[2,1-B]QUINAZOLIN-9-ONE
【CAS】
【MDL】
MFCD04624248
【English Synonyms】
【Formula】
C12 H9 F3 N2 O
【MolWeight】
254.21
【Inchi】
InChI=1S/C12H9F3N2O/c13-12(14,15)7-3-4-8-9(6-7)16-10-2-1-5-17(10)11(8)18/h3-4,6H,1-2,5H2
【InChIKey】
InChIKey=XPTCIUNLMMBYKQ-UHFFFAOYSA-N
【SMILES】
c1cc2c(cc1C(F)(F)F)nc3n(c2=O)CCC3
【MOL File】
6-(TRIFLUOROMETHYL)-….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:0
H bond acceptor:3
XLogP3:2.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
6-(TRIFLUOROMETHYL)-1H,2H,3H,9H-PYRROLO[2,1-B]QUINAZOLIN-9-ONE.cml