532949-37-4
5-CHLORO-2-[[[[(2-METHYLPHENOXY)ACETYL]AMINO]THIOXOMETHYL]AMINO]-BENZOIC ACID
Name5-CHLORO-2-[[[[(2-METHYLPHENOXY)ACETYL]AMINO]THIOXOMETHYL]AMINO]-BENZOIC ACID
FormulaC17 H15 Cl N2 O4 S
1Identification
【Name】
5-CHLORO-2-[[[[(2-METHYLPHENOXY)ACETYL]AMINO]THIOXOMETHYL]AMINO]-BENZOIC ACID
【CAS】
【MDL】
MFCD03573924
【English Synonyms】
【Formula】
C17 H15 Cl N2 O4 S
【MolWeight】
378.835
【Inchi】
InChI=1S/C17H15ClN2O4S/c1-10-4-2-3-5-14(10)24-9-15(21)20-17(25)19-13-7-6-11(18)8-12(13)16(22)23/h2-8H,9H2,1H3,(H,22,23)(H2,19,20,21,25)
【InChIKey】
InChIKey=PDCFVXZZVNWHIS-UHFFFAOYSA-N
【SMILES】
Cc1ccccc1OCC(=O)NC(=S)Nc2ccc(cc2C(=O)O)Cl
【MOL File】
5-CHLORO-2-[[[[(2-ME….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
5-CHLORO-2-[[[[(2-METHYLPHENOXY)ACETYL]AMINO]THIOXOMETHYL]AMINO]-BENZOIC ACID.cml