767333-81-3
4-BROMO-2-(2-(2-(2-NAPHTHYLOXY)PROPANOYL)CARBOHYDRAZONOYL)PHENYL BENZOATE
Name4-BROMO-2-(2-(2-(2-NAPHTHYLOXY)PROPANOYL)CARBOHYDRAZONOYL)PHENYL BENZOATE
1Identification
【Name】
4-BROMO-2-(2-(2-(2-NAPHTHYLOXY)PROPANOYL)CARBOHYDRAZONOYL)PHENYL BENZOATE
【CAS】
【MDL】
MFCD06199617
【English Synonyms】
【Formula】
C27 H21 Br N2 O4
【MolWeight】
517.377
【Inchi】
InChI=1S/C27H21BrN2O4/c1-18(33-24-13-11-19-7-5-6-10-21(19)16-24)26(31)30-29-17-22-15-23(28)12-14-25(22)34-27(32)20-8-3-2-4-9-20/h2-18H,1H3,(H,30,31)/b29-17+
【InChIKey】
InChIKey=INTZSRDKSBTAHI-STBIYBPSSA-N
【SMILES】
CC(C(=O)N/N=C/c1cc(ccc1OC(=O)c2ccccc2)Br)Oc3ccc4ccccc4c3
【MOL File】
4-BROMO-2-(2-(2-(2-N….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
4-BROMO-2-(2-(2-(2-NAPHTHYLOXY)PROPANOYL)CARBOHYDRAZONOYL)PHENYL BENZOATE.cml