532416-71-0
5-CHLORO-2-[[[(2,3-DICHLOROBENZOYL)AMINO]THIOXOMETHYL]AMINO]-BENZOIC ACID
Name5-CHLORO-2-[[[(2,3-DICHLOROBENZOYL)AMINO]THIOXOMETHYL]AMINO]-BENZOIC ACID
FormulaC15 H9 Cl3 N2 O3 S
1Identification
【Name】
5-CHLORO-2-[[[(2,3-DICHLOROBENZOYL)AMINO]THIOXOMETHYL]AMINO]-BENZOIC ACID
【CAS】
【MDL】
MFCD03569761
【English Synonyms】
【Formula】
C15 H9 Cl3 N2 O3 S
【MolWeight】
403.672
【Inchi】
InChI=1S/C15H9Cl3N2O3S/c16-7-4-5-11(9(6-7)14(22)23)19-15(24)20-13(21)8-2-1-3-10(17)12(8)18/h1-6H,(H,22,23)(H2,19,20,21,24)
【InChIKey】
InChIKey=LUHWUKYGMINZBJ-UHFFFAOYSA-N
【SMILES】
c1cc(c(c(c1)Cl)Cl)C(=O)NC(=S)Nc2ccc(cc2C(=O)O)Cl
【MOL File】
5-CHLORO-2-[[[(2,3-D….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:3
H bond acceptor:5
XLogP3:4.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
5-CHLORO-2-[[[(2,3-DICHLOROBENZOYL)AMINO]THIOXOMETHYL]AMINO]-BENZOIC ACID.cml