769151-51-1
4-BROMO-2-(2-(OXO(4-TOLUIDINO)ACETYL)CARBOHYDRAZONOYL)PHENYL 4-CHLOROBENZOATE
Name4-BROMO-2-(2-(OXO(4-TOLUIDINO)ACETYL)CARBOHYDRAZONOYL)PHENYL 4-CHLOROBENZOATE
FormulaC23 H17 Br Cl N3 O4
1Identification
【Name】
4-BROMO-2-(2-(OXO(4-TOLUIDINO)ACETYL)CARBOHYDRAZONOYL)PHENYL 4-CHLOROBENZOATE
【CAS】
【MDL】
MFCD05153667
【English Synonyms】
【Formula】
C23 H17 Br Cl N3 O4
【MolWeight】
514.761
【Inchi】
InChI=1S/C23H17BrClN3O4/c1-14-2-9-19(10-3-14)27-21(29)22(30)28-26-13-16-12-17(24)6-11-20(16)32-23(31)15-4-7-18(25)8-5-15/h2-13H,1H3,(H,27,29)(H,28,30)/b26-13+
【InChIKey】
InChIKey=NNFWIERVEKIGAK-LGJNPRDNSA-N
【SMILES】
Cc1ccc(cc1)NC(=O)C(=O)N/N=C/c2cc(ccc2OC(=O)c3ccc(cc3)Cl)Br
【MOL File】
4-BROMO-2-(2-(OXO(4-….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:2
H bond acceptor:7
XLogP3:4.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
4-BROMO-2-(2-(OXO(4-TOLUIDINO)ACETYL)CARBOHYDRAZONOYL)PHENYL 4-CHLOROBENZOATE.cml