769152-09-2
4-BR-2-(2-(4-((4-CHLOROBENZYL)OXY)BENZOYL)CARBOHYDRAZONOYL)PH 3-METHYLBENZOATE
Name4-BR-2-(2-(4-((4-CHLOROBENZYL)OXY)BENZOYL)CARBOHYDRAZONOYL)PH 3-METHYLBENZOATE
FormulaC29 H22 Br Cl N2 O4
1Identification
【Name】
4-BR-2-(2-(4-((4-CHLOROBENZYL)OXY)BENZOYL)CARBOHYDRAZONOYL)PH 3-METHYLBENZOATE
【CAS】
【MDL】
MFCD05153586
【English Synonyms】
【Formula】
C29 H22 Br Cl N2 O4
【MolWeight】
577.86
【Inchi】
InChI=1S/C29H22BrClN2O4/c1-19-3-2-4-22(15-19)29(35)37-27-14-9-24(30)16-23(27)17-32-33-28(34)21-7-12-26(13-8-21)36-18-20-5-10-25(31)11-6-20/h2-17H,18H2,1H3,(H,33,34)/b32-17+
【InChIKey】
InChIKey=HJXUVKUZZKGZIA-VTNSRFBWSA-N
【SMILES】
Cc1cccc(c1)C(=O)Oc2ccc(cc2/C=N/NC(=O)c3ccc(cc3)OCc4ccc(cc4)Cl)Br
【MOL File】
4-BR-2-(2-(4-((4-CHL….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:6
XLogP3:7.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
4-BR-2-(2-(4-((4-CHLOROBENZYL)OXY)BENZOYL)CARBOHYDRAZONOYL)PH 3-METHYLBENZOATE.cml