765284-92-2
4-BROMO-2-(2-(PHENYLACETYL)CARBOHYDRAZONOYL)PHENYL 3,4-DIMETHOXYBENZOATE
Name4-BROMO-2-(2-(PHENYLACETYL)CARBOHYDRAZONOYL)PHENYL 3,4-DIMETHOXYBENZOATE
1Identification
【Name】
4-BROMO-2-(2-(PHENYLACETYL)CARBOHYDRAZONOYL)PHENYL 3,4-DIMETHOXYBENZOATE
【CAS】
【MDL】
MFCD05720350
【English Synonyms】
【Formula】
C24 H21 Br N2 O5
【MolWeight】
497.343
【Inchi】
InChI=1S/C24H21BrN2O5/c1-30-21-10-8-17(14-22(21)31-2)24(29)32-20-11-9-19(25)13-18(20)15-26-27-23(28)12-16-6-4-3-5-7-16/h3-11,13-15H,12H2,1-2H3,(H,27,28)/b26-15+
【InChIKey】
InChIKey=BRDNTUMVGBWHCI-CVKSISIWSA-N
【SMILES】
COc1ccc(cc1OC)C(=O)Oc2ccc(cc2/C=N/NC(=O)Cc3ccccc3)Br
【MOL File】
4-BROMO-2-(2-(PHENYL….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:7
XLogP3:4.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
4-BROMO-2-(2-(PHENYLACETYL)CARBOHYDRAZONOYL)PHENYL 3,4-DIMETHOXYBENZOATE.cml