769147-88-8
4-BR-2-(2-((3-METHOXYANILINO)(OXO)AC)CARBOHYDRAZONOYL)PHENYL 4-CHLOROBENZOATE
Name4-BR-2-(2-((3-METHOXYANILINO)(OXO)AC)CARBOHYDRAZONOYL)PHENYL 4-CHLOROBENZOATE
FormulaC23 H17 Br Cl N3 O5
1Identification
【Name】
4-BR-2-(2-((3-METHOXYANILINO)(OXO)AC)CARBOHYDRAZONOYL)PHENYL 4-CHLOROBENZOATE
【CAS】
【MDL】
MFCD05154211
【English Synonyms】
【Formula】
C23 H17 Br Cl N3 O5
【MolWeight】
530.76
【Inchi】
InChI=1S/C23H17BrClN3O5/c1-32-19-4-2-3-18(12-19)27-21(29)22(30)28-26-13-15-11-16(24)7-10-20(15)33-23(31)14-5-8-17(25)9-6-14/h2-13H,1H3,(H,27,29)(H,28,30)/b26-13+
【InChIKey】
InChIKey=TUCUFZHCFVAKFR-LGJNPRDNSA-N
【SMILES】
COc1cccc(c1)NC(=O)C(=O)N/N=C/c2cc(ccc2OC(=O)c3ccc(cc3)Cl)Br
【MOL File】
4-BR-2-(2-((3-METHOX….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:2
H bond acceptor:8
XLogP3:4.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
4-BR-2-(2-((3-METHOXYANILINO)(OXO)AC)CARBOHYDRAZONOYL)PHENYL 4-CHLOROBENZOATE.cml