17617-60-6
7-CHLORO-5-(2-FLUOROPHENYL)-1,3-DIHYDRO-3-HYDROXY-2H-1,4-BENZODIAZEPIN-2-ONE
Name7-CHLORO-5-(2-FLUOROPHENYL)-1,3-DIHYDRO-3-HYDROXY-2H-1,4-BENZODIAZEPIN-2-ONE
FormulaC15 H10 Cl F N2 O2
1Identification
【Name】
7-CHLORO-5-(2-FLUOROPHENYL)-1,3-DIHYDRO-3-HYDROXY-2H-1,4-BENZODIAZEPIN-2-ONE
【CAS】
【MDL】
MFCD00834485
【English Synonyms】
【Formula】
C15 H10 Cl F N2 O2
【MolWeight】
304.707
【Inchi】
InChI=1S/C15H10ClFN2O2/c16-8-5-6-12-10(7-8)13(19-15(21)14(20)18-12)9-3-1-2-4-11(9)17/h1-7,15,21H,(H,18,20)
【InChIKey】
InChIKey=FERBACJQVQVCKH-UHFFFAOYSA-N
【SMILES】
c1ccc(c(c1)C2=NC(C(=O)Nc3c2cc(cc3)Cl)O)F
【MOL File】
7-CHLORO-5-(2-FLUORO….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:2
H bond acceptor:4
XLogP3:3.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
7-CHLORO-5-(2-FLUOROPHENYL)-1,3-DIHYDRO-3-HYDROXY-2H-1,4-BENZODIAZEPIN-2-ONE.cml