767330-20-1
4-BROMO-2-(2-(1-NAPHTHOYL)CARBOHYDRAZONOYL)PHENYL 2-METHYLBENZOATE
Name4-BROMO-2-(2-(1-NAPHTHOYL)CARBOHYDRAZONOYL)PHENYL 2-METHYLBENZOATE
1Identification
【Name】
4-BROMO-2-(2-(1-NAPHTHOYL)CARBOHYDRAZONOYL)PHENYL 2-METHYLBENZOATE
【CAS】
【MDL】
MFCD06199729
【English Synonyms】
【Formula】
C26 H19 Br N2 O3
【MolWeight】
487.351
【Inchi】
InChI=1S/C26H19BrN2O3/c1-17-7-2-4-10-21(17)26(31)32-24-14-13-20(27)15-19(24)16-28-29-25(30)23-12-6-9-18-8-3-5-11-22(18)23/h2-16H,1H3,(H,29,30)/b28-16+
【InChIKey】
InChIKey=QJUSZKTYPBGSLX-LQKURTRISA-N
【SMILES】
Cc1ccccc1C(=O)Oc2ccc(cc2/C=N/NC(=O)c3cccc4c3cccc4)Br
【MOL File】
4-BROMO-2-(2-(1-NAPH….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:5
XLogP3:6.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
4-BROMO-2-(2-(1-NAPHTHOYL)CARBOHYDRAZONOYL)PHENYL 2-METHYLBENZOATE.cml