59468-87-0
8-CHLORO-6-(2-FLUOROPHENYL)-1-METHYL-4H-IMIDAZO[1,5-A][1,4]BENZODIAZEPINE 2,5-DIOXIDE
Name8-CHLORO-6-(2-FLUOROPHENYL)-1-METHYL-4H-IMIDAZO[1,5-A][1,4]BENZODIAZEPINE 2,5-DIOXIDE
FormulaC18 H13 Cl F N3 O2
1Identification
【Name】
8-CHLORO-6-(2-FLUOROPHENYL)-1-METHYL-4H-IMIDAZO[1,5-A][1,4]BENZODIAZEPINE 2,5-DIOXIDE
【CAS】
【MDL】
MFCD07369239
【English Synonyms】
【Formula】
C18 H13 Cl F N3 O2
【MolWeight】
357.771
【Inchi】
InChI=1S/C18H13ClFN3O2/c1-11-21(24)9-13-10-22(25)18(14-4-2-3-5-16(14)20)15-8-12(19)6-7-17(15)23(11)13/h2-9H,10H2,1H3
【InChIKey】
InChIKey=WBIWFQPWSUQUEA-UHFFFAOYSA-N
【SMILES】
Cc1n-2c(c[n+]1[O-])C[N+](=C(c3c2ccc(c3)Cl)c4ccccc4F)[O-]
【MOL File】
8-CHLORO-6-(2-FLUORO….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:0
H bond acceptor:5
XLogP3:2.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
8-CHLORO-6-(2-FLUOROPHENYL)-1-METHYL-4H-IMIDAZO[1,5-A][1,4]BENZODIAZEPINE 2,5-DIOXIDE.cml