769151-96-4
4-(2-STEAROYLCARBOHYDRAZONOYL)PHENYL 2,4-DICHLOROBENZOATE
Name4-(2-STEAROYLCARBOHYDRAZONOYL)PHENYL 2,4-DICHLOROBENZOATE
1Identification
【Name】
4-(2-STEAROYLCARBOHYDRAZONOYL)PHENYL 2,4-DICHLOROBENZOATE
【CAS】
【MDL】
MFCD05153605
【English Synonyms】
【Formula】
C32 H44 Cl2 N2 O3
【MolWeight】
575.617
【Inchi】
InChI=1S/C32H44Cl2N2O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-31(37)36-35-25-26-18-21-28(22-19-26)39-32(38)29-23-20-27(33)24-30(29)34/h18-25H,2-17H2,1H3,(H,36,37)/b35-25+
【InChIKey】
InChIKey=BBRYBYWUQUIZKZ-KVQDIILNSA-N
【SMILES】
CCCCCCCCCCCCCCCCCC(=O)N/N=C/c1ccc(cc1)OC(=O)c2ccc(cc2Cl)Cl
【MOL File】
4-(2-STEAROYLCARBOHY….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-(2-STEAROYLCARBOHYDRAZONOYL)PHENYL 2,4-DICHLOROBENZOATE.cml