595550-92-8
4-(2-((4-BROMOANILINO)(OXO)ACETYL)CARBOHYDRAZONOYL)PHENYL 2-BROMOBENZOATE
Name4-(2-((4-BROMOANILINO)(OXO)ACETYL)CARBOHYDRAZONOYL)PHENYL 2-BROMOBENZOATE
1Identification
【Name】
4-(2-((4-BROMOANILINO)(OXO)ACETYL)CARBOHYDRAZONOYL)PHENYL 2-BROMOBENZOATE
【CAS】
【MDL】
MFCD03898332
【English Synonyms】
【Formula】
C22 H15 Br2 N3 O4
【MolWeight】
545.185
【Inchi】
InChI=1S/C22H15Br2N3O4/c23-15-7-9-16(10-8-15)26-20(28)21(29)27-25-13-14-5-11-17(12-6-14)31-22(30)18-3-1-2-4-19(18)24/h1-13H,(H,26,28)(H,27,29)/b25-13+
【InChIKey】
InChIKey=VXUCVUMUQFNGJU-DHRITJCHSA-N
【SMILES】
c1ccc(c(c1)C(=O)Oc2ccc(cc2)/C=N/NC(=O)C(=O)Nc3ccc(cc3)Br)Br
【MOL File】
4-(2-((4-BROMOANILIN….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-(2-((4-BROMOANILINO)(OXO)ACETYL)CARBOHYDRAZONOYL)PHENYL 2-BROMOBENZOATE.cml