532422-48-3
5-CHLORO-2-[[[[(2,4-DICHLOROPHENOXY)ACETYL]AMINO]THIOXOMETHYL]AMINO]-BENZOIC ACID
Name5-CHLORO-2-[[[[(2,4-DICHLOROPHENOXY)ACETYL]AMINO]THIOXOMETHYL]AMINO]-BENZOIC ACID
FormulaC16 H11 Cl3 N2 O4 S
1Identification
【Name】
5-CHLORO-2-[[[[(2,4-DICHLOROPHENOXY)ACETYL]AMINO]THIOXOMETHYL]AMINO]-BENZOIC ACID
【CAS】
【MDL】
MFCD03570015
【English Synonyms】
【Formula】
C16 H11 Cl3 N2 O4 S
【MolWeight】
433.698
【Inchi】
InChI=1S/C16H11Cl3N2O4S/c17-8-1-3-12(10(5-8)15(23)24)20-16(26)21-14(22)7-25-13-4-2-9(18)6-11(13)19/h1-6H,7H2,(H,23,24)(H2,20,21,22,26)
【InChIKey】
InChIKey=VXQAULOGWBAZMV-UHFFFAOYSA-N
【SMILES】
c1cc(c(cc1Cl)C(=O)O)NC(=S)NC(=O)COc2ccc(cc2Cl)Cl
【MOL File】
5-CHLORO-2-[[[[(2,4-….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
5-CHLORO-2-[[[[(2,4-DICHLOROPHENOXY)ACETYL]AMINO]THIOXOMETHYL]AMINO]-BENZOIC ACID.cml