535977-67-4
3,5-DICHLORO-2-[[[[(2-CHLOROPHENOXY)ACETYL]AMINO]THIOXOMETHYL]AMINO]-BENZOIC ACID
Name3,5-DICHLORO-2-[[[[(2-CHLOROPHENOXY)ACETYL]AMINO]THIOXOMETHYL]AMINO]-BENZOIC ACID
FormulaC16 H11 Cl3 N2 O4 S
1Identification
【Name】
3,5-DICHLORO-2-[[[[(2-CHLOROPHENOXY)ACETYL]AMINO]THIOXOMETHYL]AMINO]-BENZOIC ACID
【CAS】
【MDL】
MFCD03573083
【English Synonyms】
【Formula】
C16 H11 Cl3 N2 O4 S
【MolWeight】
433.698
【Inchi】
InChI=1S/C16H11Cl3N2O4S/c17-8-5-9(15(23)24)14(11(19)6-8)21-16(26)20-13(22)7-25-12-4-2-1-3-10(12)18/h1-6H,7H2,(H,23,24)(H2,20,21,22,26)
【InChIKey】
InChIKey=QVYCFZJBSYZTOU-UHFFFAOYSA-N
【SMILES】
c1ccc(c(c1)OCC(=O)NC(=S)Nc2c(cc(cc2Cl)Cl)C(=O)O)Cl
【MOL File】
3,5-DICHLORO-2-[[[[(….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:3
H bond acceptor:6
XLogP3:4.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
3,5-DICHLORO-2-[[[[(2-CHLOROPHENOXY)ACETYL]AMINO]THIOXOMETHYL]AMINO]-BENZOIC ACID.cml