765913-07-3
4-BR-2-(2-(2-((4-CHLOROBENZYL)OXY)BENZOYL)CARBOHYDRAZONOYL)PH 3-METHYLBENZOATE
Name4-BR-2-(2-(2-((4-CHLOROBENZYL)OXY)BENZOYL)CARBOHYDRAZONOYL)PH 3-METHYLBENZOATE
FormulaC29 H22 Br Cl N2 O4
1Identification
【Name】
4-BR-2-(2-(2-((4-CHLOROBENZYL)OXY)BENZOYL)CARBOHYDRAZONOYL)PH 3-METHYLBENZOATE
【CAS】
【MDL】
MFCD05154538
【English Synonyms】
【Formula】
C29 H22 Br Cl N2 O4
【MolWeight】
577.86
【Inchi】
InChI=1S/C29H22BrClN2O4/c1-19-5-4-6-21(15-19)29(35)37-26-14-11-23(30)16-22(26)17-32-33-28(34)25-7-2-3-8-27(25)36-18-20-9-12-24(31)13-10-20/h2-17H,18H2,1H3,(H,33,34)/b32-17+
【InChIKey】
InChIKey=CZAPUZSLQKROAV-VTNSRFBWSA-N
【SMILES】
Cc1cccc(c1)C(=O)Oc2ccc(cc2/C=N/NC(=O)c3ccccc3OCc4ccc(cc4)Cl)Br
【MOL File】
4-BR-2-(2-(2-((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-(2-((4-CHLOROBENZYL)OXY)BENZOYL)CARBOHYDRAZONOYL)PH 3-METHYLBENZOATE.cml