129166-25-2
1,3-DIHYDRO-7-BROMO-5-(2-CHLOROPHENYL)-3-HYDROXY-1-METHYL-2H-1,4-BENZO DIAZEPIN-2-ONE
Name1,3-DIHYDRO-7-BROMO-5-(2-CHLOROPHENYL)-3-HYDROXY-1-METHYL-2H-1,4-BENZO DIAZEPIN-2-ONE
FormulaC16 H12 Br Cl N2 O2
1Identification
【Name】
1,3-DIHYDRO-7-BROMO-5-(2-CHLOROPHENYL)-3-HYDROXY-1-METHYL-2H-1,4-BENZO DIAZEPIN-2-ONE
【CAS】
【MDL】
MFCD01659364
【English Synonyms】
【Formula】
C16 H12 Br Cl N2 O2
【MolWeight】
379.64
【Inchi】
InChI=1S/C16H12BrClN2O2/c1-20-13-7-6-9(17)8-11(13)14(19-15(21)16(20)22)10-4-2-3-5-12(10)18/h2-8,15,21H,1H3
【InChIKey】
InChIKey=XJBIVRQAGCFPOL-UHFFFAOYSA-N
【SMILES】
CN1c2ccc(cc2C(=NC(C1=O)O)c3ccccc3Cl)Br
【MOL File】
1,3-DIHYDRO-7-BROMO-….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:4
XLogP3:2.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
1,3-DIHYDRO-7-BROMO-5-(2-CHLOROPHENYL)-3-HYDROXY-1-METHYL-2H-1,4-BENZO DIAZEPIN-2-ONE.cml