532981-89-8
5-CHLORO-2-[[[(3,4-DICHLOROBENZOYL)AMINO]THIOXOMETHYL]AMINO]-BENZOIC ACID
Name5-CHLORO-2-[[[(3,4-DICHLOROBENZOYL)AMINO]THIOXOMETHYL]AMINO]-BENZOIC ACID
FormulaC15 H9 Cl3 N2 O3 S
1Identification
【Name】
5-CHLORO-2-[[[(3,4-DICHLOROBENZOYL)AMINO]THIOXOMETHYL]AMINO]-BENZOIC ACID
【CAS】
【MDL】
MFCD03570823
【English Synonyms】
【Formula】
C15 H9 Cl3 N2 O3 S
【MolWeight】
403.672
【Inchi】
InChI=1S/C15H9Cl3N2O3S/c16-8-2-4-12(9(6-8)14(22)23)19-15(24)20-13(21)7-1-3-10(17)11(18)5-7/h1-6H,(H,22,23)(H2,19,20,21,24)
【InChIKey】
InChIKey=LNADTDUBXAETNE-UHFFFAOYSA-N
【SMILES】
c1cc(c(cc1C(=O)NC(=S)Nc2ccc(cc2C(=O)O)Cl)Cl)Cl
【MOL File】
5-CHLORO-2-[[[(3,4-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-[[[(3,4-DICHLOROBENZOYL)AMINO]THIOXOMETHYL]AMINO]-BENZOIC ACID.cml