532980-35-1
4-CHLORO-3-[[[[(4-CHLORO-3,5-DIMETHYLPHENOXY)ACETYL]AMINO]THIOXOMETHYL]AMINO]-BENZOIC ACID
Name4-CHLORO-3-[[[[(4-CHLORO-3,5-DIMETHYLPHENOXY)ACETYL]AMINO]THIOXOMETHYL]AMINO]-BENZOIC ACID
FormulaC18 H16 Cl2 N2 O4 S
1Identification
【Name】
4-CHLORO-3-[[[[(4-CHLORO-3,5-DIMETHYLPHENOXY)ACETYL]AMINO]THIOXOMETHYL]AMINO]-BENZOIC ACID
【CAS】
【MDL】
MFCD03570686
【English Synonyms】
【Formula】
C18 H16 Cl2 N2 O4 S
【MolWeight】
427.306
【Inchi】
InChI=1S/C18H16Cl2N2O4S/c1-9-5-12(6-10(2)16(9)20)26-8-15(23)22-18(27)21-14-7-11(17(24)25)3-4-13(14)19/h3-7H,8H2,1-2H3,(H,24,25)(H2,21,22,23,27)
【InChIKey】
InChIKey=RVJQZHQYIMHVGD-UHFFFAOYSA-N
【SMILES】
Cc1cc(cc(c1Cl)C)OCC(=O)NC(=S)Nc2cc(ccc2Cl)C(=O)O
【MOL File】
4-CHLORO-3-[[[[(4-CH….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
4-CHLORO-3-[[[[(4-CHLORO-3,5-DIMETHYLPHENOXY)ACETYL]AMINO]THIOXOMETHYL]AMINO]-BENZOIC ACID.cml