767330-23-4
4-BROMO-2-(2-(HYDROXY(PHENYL)ACETYL)CARBOHYDRAZONOYL)PHENYL 4-PROPOXYBENZOATE
Name4-BROMO-2-(2-(HYDROXY(PHENYL)ACETYL)CARBOHYDRAZONOYL)PHENYL 4-PROPOXYBENZOATE
1Identification
【Name】
4-BROMO-2-(2-(HYDROXY(PHENYL)ACETYL)CARBOHYDRAZONOYL)PHENYL 4-PROPOXYBENZOATE
【CAS】
【MDL】
MFCD06199726
【English Synonyms】
【Formula】
C25 H23 Br N2 O5
【MolWeight】
511.37
【Inchi】
InChI=1S/C25H23BrN2O5/c1-2-14-32-21-11-8-18(9-12-21)25(31)33-22-13-10-20(26)15-19(22)16-27-28-24(30)23(29)17-6-4-3-5-7-17/h3-13,15-16,23,29H,2,14H2,1H3,(H,28,30)/b27-16+
【InChIKey】
InChIKey=TYWKMVBLJXFOPJ-JVWAILMASA-N
【SMILES】
CCCOc1ccc(cc1)C(=O)Oc2ccc(cc2/C=N/NC(=O)C(c3ccccc3)O)Br
【MOL File】
4-BROMO-2-(2-(HYDROX….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-(HYDROXY(PHENYL)ACETYL)CARBOHYDRAZONOYL)PHENYL 4-PROPOXYBENZOATE.cml