531533-64-9
2-CHLORO-5-[[[[(3,4-DIMETHYLPHENOXY)ACETYL]AMINO]THIOXOMETHYL]AMINO]-BENZOIC ACID
Name2-CHLORO-5-[[[[(3,4-DIMETHYLPHENOXY)ACETYL]AMINO]THIOXOMETHYL]AMINO]-BENZOIC ACID
FormulaC18 H17 Cl N2 O4 S
1Identification
【Name】
2-CHLORO-5-[[[[(3,4-DIMETHYLPHENOXY)ACETYL]AMINO]THIOXOMETHYL]AMINO]-BENZOIC ACID
【CAS】
【MDL】
MFCD03566273
【English Synonyms】
【Formula】
C18 H17 Cl N2 O4 S
【MolWeight】
392.861
【Inchi】
InChI=1S/C18H17ClN2O4S/c1-10-3-5-13(7-11(10)2)25-9-16(22)21-18(26)20-12-4-6-15(19)14(8-12)17(23)24/h3-8H,9H2,1-2H3,(H,23,24)(H2,20,21,22,26)
【InChIKey】
InChIKey=INURPXSSHDYHKA-UHFFFAOYSA-N
【SMILES】
Cc1ccc(cc1C)OCC(=O)NC(=S)Nc2ccc(c(c2)C(=O)O)Cl
【MOL File】
2-CHLORO-5-[[[[(3,4-….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
2-CHLORO-5-[[[[(3,4-DIMETHYLPHENOXY)ACETYL]AMINO]THIOXOMETHYL]AMINO]-BENZOIC ACID.cml