532949-06-7
5-CHLORO-2-[[[(3,5-DICHLORO-2-METHOXYBENZOYL)AMINO]THIOXOMETHYL]AMINO]-BENZOIC ACID
Name5-CHLORO-2-[[[(3,5-DICHLORO-2-METHOXYBENZOYL)AMINO]THIOXOMETHYL]AMINO]-BENZOIC ACID
FormulaC16 H11 Cl3 N2 O4 S
1Identification
【Name】
5-CHLORO-2-[[[(3,5-DICHLORO-2-METHOXYBENZOYL)AMINO]THIOXOMETHYL]AMINO]-BENZOIC ACID
【CAS】
【MDL】
MFCD03573897
【English Synonyms】
【Formula】
C16 H11 Cl3 N2 O4 S
【MolWeight】
433.698
【Inchi】
InChI=1S/C16H11Cl3N2O4S/c1-25-13-10(5-8(18)6-11(13)19)14(22)21-16(26)20-12-3-2-7(17)4-9(12)15(23)24/h2-6H,1H3,(H,23,24)(H2,20,21,22,26)
【InChIKey】
InChIKey=AIGVHPNHJWVYBB-UHFFFAOYSA-N
【SMILES】
COc1c(cc(cc1Cl)Cl)C(=O)NC(=S)Nc2ccc(cc2C(=O)O)Cl
【MOL File】
5-CHLORO-2-[[[(3,5-D….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:3
H bond acceptor:6
XLogP3:5.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
5-CHLORO-2-[[[(3,5-DICHLORO-2-METHOXYBENZOYL)AMINO]THIOXOMETHYL]AMINO]-BENZOIC ACID.cml