583832-09-1
6-BROMO-2-(CYCLOHEXYLMETHYL)-3-(HYDROXYMETHYL)-4-PHENYL-1(2H)-ISOQUINOLINONE
Name6-BROMO-2-(CYCLOHEXYLMETHYL)-3-(HYDROXYMETHYL)-4-PHENYL-1(2H)-ISOQUINOLINONE
1Identification
【Name】
6-BROMO-2-(CYCLOHEXYLMETHYL)-3-(HYDROXYMETHYL)-4-PHENYL-1(2H)-ISOQUINOLINONE
【CAS】
【MDL】
MFCD18206797
【English Synonyms】
【Formula】
C23 H24 Br N O2
【MolWeight】
426.352
【Inchi】
InChI=1S/C23H24BrNO2/c24-18-11-12-19-20(13-18)22(17-9-5-2-6-10-17)21(15-26)25(23(19)27)14-16-7-3-1-4-8-16/h2,5-6,9-13,16,26H,1,3-4,7-8,14-15H2
【InChIKey】
InChIKey=IEFDZKYOMOFCSV-UHFFFAOYSA-N
【SMILES】
c1ccc(cc1)c2c3cc(ccc3c(=O)n(c2CO)CC4CCCCC4)Br
【MOL File】
6-BROMO-2-(CYCLOHEXY….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:3
XLogP3:4.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
6-BROMO-2-(CYCLOHEXYLMETHYL)-3-(HYDROXYMETHYL)-4-PHENYL-1(2H)-ISOQUINOLINONE.cml