769156-04-9
4-(2-((4-ISOPROPYLPHENOXY)ACETYL)CARBOHYDRAZONOYL)PHENYL 2-BROMOBENZOATE
Name4-(2-((4-ISOPROPYLPHENOXY)ACETYL)CARBOHYDRAZONOYL)PHENYL 2-BROMOBENZOATE
1Identification
【Name】
4-(2-((4-ISOPROPYLPHENOXY)ACETYL)CARBOHYDRAZONOYL)PHENYL 2-BROMOBENZOATE
【CAS】
【MDL】
MFCD05154357
【English Synonyms】
【Formula】
C25 H23 Br N2 O4
【MolWeight】
495.371
【Inchi】
InChI=1S/C25H23BrN2O4/c1-17(2)19-9-13-20(14-10-19)31-16-24(29)28-27-15-18-7-11-21(12-8-18)32-25(30)22-5-3-4-6-23(22)26/h3-15,17H,16H2,1-2H3,(H,28,29)/b27-15+
【InChIKey】
InChIKey=CVCVWJBGIUKGHX-JFLMPSFJSA-N
【SMILES】
CC(C)c1ccc(cc1)OCC(=O)N/N=C/c2ccc(cc2)OC(=O)c3ccccc3Br
【MOL File】
4-(2-((4-ISOPROPYLPH….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:6
XLogP3:6.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
4-(2-((4-ISOPROPYLPHENOXY)ACETYL)CARBOHYDRAZONOYL)PHENYL 2-BROMOBENZOATE.cml