769156-19-6
4-BROMO-2-(2-(1-NAPHTHYLACETYL)CARBOHYDRAZONOYL)PHENYL 3,4-DIMETHOXYBENZOATE
Name4-BROMO-2-(2-(1-NAPHTHYLACETYL)CARBOHYDRAZONOYL)PHENYL 3,4-DIMETHOXYBENZOATE
1Identification
【Name】
4-BROMO-2-(2-(1-NAPHTHYLACETYL)CARBOHYDRAZONOYL)PHENYL 3,4-DIMETHOXYBENZOATE
【CAS】
【MDL】
MFCD05154350
【English Synonyms】
【Formula】
C28 H23 Br N2 O5
【MolWeight】
547.403
【Inchi】
InChI=1S/C28H23BrN2O5/c1-34-25-12-10-20(15-26(25)35-2)28(33)36-24-13-11-22(29)14-21(24)17-30-31-27(32)16-19-8-5-7-18-6-3-4-9-23(18)19/h3-15,17H,16H2,1-2H3,(H,31,32)/b30-17+
【InChIKey】
InChIKey=VORKILCFWPYDFL-OCSSWDANSA-N
【SMILES】
COc1ccc(cc1OC)C(=O)Oc2ccc(cc2/C=N/NC(=O)Cc3cccc4c3cccc4)Br
【MOL File】
4-BROMO-2-(2-(1-NAPH….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:7
XLogP3:5.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
4-BROMO-2-(2-(1-NAPHTHYLACETYL)CARBOHYDRAZONOYL)PHENYL 3,4-DIMETHOXYBENZOATE.cml