767288-97-1
4-BR-2-(2-((4-METHOXYANILINO)CARBOTHIOYL)CARBOHYDRAZONOYL)PH 2-CHLOROBENZOATE
Name4-BR-2-(2-((4-METHOXYANILINO)CARBOTHIOYL)CARBOHYDRAZONOYL)PH 2-CHLOROBENZOATE
FormulaC22 H17 Br Cl N3 O3 S
1Identification
【Name】
4-BR-2-(2-((4-METHOXYANILINO)CARBOTHIOYL)CARBOHYDRAZONOYL)PH 2-CHLOROBENZOATE
【CAS】
【MDL】
MFCD05153902
【English Synonyms】
【Formula】
C22 H17 Br Cl N3 O3 S
【MolWeight】
518.817
【Inchi】
InChI=1S/C22H17BrClN3O3S/c1-29-17-9-7-16(8-10-17)26-22(31)27-25-13-14-12-15(23)6-11-20(14)30-21(28)18-4-2-3-5-19(18)24/h2-13H,1H3,(H2,26,27,31)/b25-13+
【InChIKey】
InChIKey=MXMNSCSQPVYJKD-DHRITJCHSA-N
【SMILES】
COc1ccc(cc1)NC(=S)N/N=C/c2cc(ccc2OC(=O)c3ccccc3Cl)Br
【MOL File】
4-BR-2-(2-((4-METHOX….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:2
H bond acceptor:6
XLogP3:6.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
4-BR-2-(2-((4-METHOXYANILINO)CARBOTHIOYL)CARBOHYDRAZONOYL)PH 2-CHLOROBENZOATE.cml