54923-37-4
[(4-CHLOROPHENYL)-ISOQUINOLIN-1-YL-METHYL] BENZOATE
Name[(4-CHLOROPHENYL)-ISOQUINOLIN-1-YL-METHYL] BENZOATE
1Identification
【Name】
[(4-CHLOROPHENYL)-ISOQUINOLIN-1-YL-METHYL] BENZOATE
【CAS】
【MDL】
MFCD01245434
【English Synonyms】
【Formula】
C23 H16 Cl N O2
【MolWeight】
373.837
【Inchi】
InChI=1S/C23H16ClNO2/c24-19-12-10-17(11-13-19)22(27-23(26)18-7-2-1-3-8-18)21-20-9-5-4-6-16(20)14-15-25-21/h1-15,22H
【InChIKey】
InChIKey=LECKNMNONXHEAV-UHFFFAOYSA-N
【SMILES】
c1ccc(cc1)C(=O)OC(c2ccc(cc2)Cl)c3c4ccccc4ccn3
【MOL File】
[(4-CHLOROPHENYL)-IS….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:0
H bond acceptor:3
XLogP3:5.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
[(4-CHLOROPHENYL)-ISOQUINOLIN-1-YL-METHYL] BENZOATE.cml