764653-56-7
1-(2-(4-BROMOBENZOYL)CARBOHYDRAZONOYL)-2-NAPHTHYL 4-ETHOXYBENZOATE
Name1-(2-(4-BROMOBENZOYL)CARBOHYDRAZONOYL)-2-NAPHTHYL 4-ETHOXYBENZOATE
1Identification
【Name】
1-(2-(4-BROMOBENZOYL)CARBOHYDRAZONOYL)-2-NAPHTHYL 4-ETHOXYBENZOATE
【CAS】
【MDL】
MFCD05720402
【English Synonyms】
【Formula】
C27 H21 Br N2 O4
【MolWeight】
517.377
【Inchi】
InChI=1S/C27H21BrN2O4/c1-2-33-22-14-9-20(10-15-22)27(32)34-25-16-11-18-5-3-4-6-23(18)24(25)17-29-30-26(31)19-7-12-21(28)13-8-19/h3-17H,2H2,1H3,(H,30,31)/b29-17+
【InChIKey】
InChIKey=SGXLDZWKENZCMK-STBIYBPSSA-N
【SMILES】
CCOc1ccc(cc1)C(=O)Oc2ccc3ccccc3c2/C=N/NC(=O)c4ccc(cc4)Br
【MOL File】
1-(2-(4-BROMOBENZOYL….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:6
XLogP3:6.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
1-(2-(4-BROMOBENZOYL)CARBOHYDRAZONOYL)-2-NAPHTHYL 4-ETHOXYBENZOATE.cml