764656-88-4
4-BROMO-2-(2-STEAROYLCARBOHYDRAZONOYL)PHENYL 2-CHLOROBENZOATE
Name4-BROMO-2-(2-STEAROYLCARBOHYDRAZONOYL)PHENYL 2-CHLOROBENZOATE
FormulaC32 H44 Br Cl N2 O3
1Identification
【Name】
4-BROMO-2-(2-STEAROYLCARBOHYDRAZONOYL)PHENYL 2-CHLOROBENZOATE
【CAS】
【MDL】
MFCD05154580
【English Synonyms】
【Formula】
C32 H44 Br Cl N2 O3
【MolWeight】
620.068
【Inchi】
InChI=1S/C32H44BrClN2O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-21-31(37)36-35-25-26-24-27(33)22-23-30(26)39-32(38)28-19-17-18-20-29(28)34/h17-20,22-25H,2-16,21H2,1H3,(H,36,37)/b35-25+
【InChIKey】
InChIKey=AEKYRBYEGYBHNJ-KVQDIILNSA-N
【SMILES】
CCCCCCCCCCCCCCCCCC(=O)N/N=C/c1cc(ccc1OC(=O)c2ccccc2Cl)Br
【MOL File】
4-BROMO-2-(2-STEAROY….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:5
XLogP3:11.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
4-BROMO-2-(2-STEAROYLCARBOHYDRAZONOYL)PHENYL 2-CHLOROBENZOATE.cml