765310-07-4
4-BROMO-2-(2-((4-CHLOROPHENYL)SULFONYL)CARBOHYDRAZONOYL)PHENYL 4-METHOXYBENZOATE
Name4-BROMO-2-(2-((4-CHLOROPHENYL)SULFONYL)CARBOHYDRAZONOYL)PHENYL 4-METHOXYBENZOATE
FormulaC21 H16 Br Cl N2 O5 S
1Identification
【Name】
4-BROMO-2-(2-((4-CHLOROPHENYL)SULFONYL)CARBOHYDRAZONOYL)PHENYL 4-METHOXYBENZOATE
【CAS】
【MDL】
MFCD05153811
【English Synonyms】
【Formula】
C21 H16 Br Cl N2 O5 S
【MolWeight】
523.789
【Inchi】
InChI=1S/C21H16BrClN2O5S/c1-29-18-7-2-14(3-8-18)21(26)30-20-11-4-16(22)12-15(20)13-24-25-31(27,28)19-9-5-17(23)6-10-19/h2-13,25H,1H3/b24-13+
【InChIKey】
InChIKey=RCAMVRQMCOJIMW-ZMOGYAJESA-N
【SMILES】
COc1ccc(cc1)C(=O)Oc2ccc(cc2/C=N/NS(=O)(=O)c3ccc(cc3)Cl)Br
【MOL File】
4-BROMO-2-(2-((4-CHL….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:7
XLogP3:5.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
4-BROMO-2-(2-((4-CHLOROPHENYL)SULFONYL)CARBOHYDRAZONOYL)PHENYL 4-METHOXYBENZOATE.cml