257295-47-9
2-CHLORO-1-[1-(TRIFLUOROMETHYL)-1,3,4,9-TETRAHYDRO-2H-BETA-CARBOLIN-2-YL]ETHAN-1-ONE
Name2-CHLORO-1-[1-(TRIFLUOROMETHYL)-1,3,4,9-TETRAHYDRO-2H-BETA-CARBOLIN-2-YL]ETHAN-1-ONE
FormulaC14 H12 Cl F3 N2 O
1Identification
【Name】
2-CHLORO-1-[1-(TRIFLUOROMETHYL)-1,3,4,9-TETRAHYDRO-2H-BETA-CARBOLIN-2-YL]ETHAN-1-ONE
【CAS】
【MDL】
MFCD01567091
【English Synonyms】
【Formula】
C14 H12 Cl F3 N2 O
【MolWeight】
316.709
【Inchi】
InChI=1S/C14H12ClF3N2O/c15-7-11(21)20-6-5-9-8-3-1-2-4-10(8)19-12(9)13(20)14(16,17)18/h1-4,13,19H,5-7H2
【InChIKey】
InChIKey=WCIRWWWNBGZXQH-UHFFFAOYSA-N
【SMILES】
c1ccc2c(c1)c3c([nH]2)C(N(CC3)C(=O)CCl)C(F)(F)F
【MOL File】
2-CHLORO-1-[1-(TRIFL….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:3
XLogP3:3.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
2-CHLORO-1-[1-(TRIFLUOROMETHYL)-1,3,4,9-TETRAHYDRO-2H-BETA-CARBOLIN-2-YL]ETHAN-1-ONE.cml