769153-00-6
1-(2-((1-NAPHTHYLAMINO)(OXO)ACETYL)CARBOHYDRAZONOYL)-2-NAPHTHYL 2-CHLOROBENZOATE
Name1-(2-((1-NAPHTHYLAMINO)(OXO)ACETYL)CARBOHYDRAZONOYL)-2-NAPHTHYL 2-CHLOROBENZOATE
1Identification
【Name】
1-(2-((1-NAPHTHYLAMINO)(OXO)ACETYL)CARBOHYDRAZONOYL)-2-NAPHTHYL 2-CHLOROBENZOATE
【CAS】
【MDL】
MFCD05153475
【English Synonyms】
【Formula】
C30 H20 Cl N3 O4
【MolWeight】
521.958
【Inchi】
InChI=1S/C30H20ClN3O4/c31-25-14-6-5-13-23(25)30(37)38-27-17-16-20-9-1-3-11-21(20)24(27)18-32-34-29(36)28(35)33-26-15-7-10-19-8-2-4-12-22(19)26/h1-18H,(H,33,35)(H,34,36)/b32-18+
【InChIKey】
InChIKey=MRKLBIGULQBMAX-KCSSXMTESA-N
【SMILES】
c1ccc2c(c1)cccc2NC(=O)C(=O)N/N=C/c3c4ccccc4ccc3OC(=O)c5ccccc5Cl
【MOL File】
1-(2-((1-NAPHTHYLAMI….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:2
H bond acceptor:7
XLogP3:5.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
1-(2-((1-NAPHTHYLAMINO)(OXO)ACETYL)CARBOHYDRAZONOYL)-2-NAPHTHYL 2-CHLOROBENZOATE.cml