767334-05-4
4-BR-2-(2-(OXO(3-TOLUIDINO)ACETYL)CARBOHYDRAZONOYL)PHENYL 3,4-DIMETHOXYBENZOATE
Name4-BR-2-(2-(OXO(3-TOLUIDINO)ACETYL)CARBOHYDRAZONOYL)PHENYL 3,4-DIMETHOXYBENZOATE
1Identification
【Name】
4-BR-2-(2-(OXO(3-TOLUIDINO)ACETYL)CARBOHYDRAZONOYL)PHENYL 3,4-DIMETHOXYBENZOATE
【CAS】
【MDL】
MFCD06199592
【English Synonyms】
【Formula】
C25 H22 Br N3 O6
【MolWeight】
540.368
【Inchi】
InChI=1S/C25H22BrN3O6/c1-15-5-4-6-19(11-15)28-23(30)24(31)29-27-14-17-12-18(26)8-10-20(17)35-25(32)16-7-9-21(33-2)22(13-16)34-3/h4-14H,1-3H3,(H,28,30)(H,29,31)/b27-14+
【InChIKey】
InChIKey=WQFGNYHIMAOSKO-MZJWZYIUSA-N
【SMILES】
Cc1cccc(c1)NC(=O)C(=O)N/N=C/c2cc(ccc2OC(=O)c3ccc(c(c3)OC)OC)Br
【MOL File】
4-BR-2-(2-(OXO(3-TOL….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:2
H bond acceptor:9
XLogP3:3.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
4-BR-2-(2-(OXO(3-TOLUIDINO)ACETYL)CARBOHYDRAZONOYL)PHENYL 3,4-DIMETHOXYBENZOATE.cml