532951-27-2
2-CHLORO-5-[[[[(4-CHLOROPHENOXY)ACETYL]AMINO]THIOXOMETHYL]AMINO]-BENZOIC ACID
Name2-CHLORO-5-[[[[(4-CHLOROPHENOXY)ACETYL]AMINO]THIOXOMETHYL]AMINO]-BENZOIC ACID
FormulaC16 H12 Cl2 N2 O4 S
1Identification
【Name】
2-CHLORO-5-[[[[(4-CHLOROPHENOXY)ACETYL]AMINO]THIOXOMETHYL]AMINO]-BENZOIC ACID
【CAS】
【MDL】
MFCD03574101
【English Synonyms】
【Formula】
C16 H12 Cl2 N2 O4 S
【MolWeight】
399.253
【Inchi】
InChI=1S/C16H12Cl2N2O4S/c17-9-1-4-11(5-2-9)24-8-14(21)20-16(25)19-10-3-6-13(18)12(7-10)15(22)23/h1-7H,8H2,(H,22,23)(H2,19,20,21,25)
【InChIKey】
InChIKey=OFUIHAKRPRDQLH-UHFFFAOYSA-N
【SMILES】
c1cc(ccc1OCC(=O)NC(=S)Nc2ccc(c(c2)C(=O)O)Cl)Cl
【MOL File】
2-CHLORO-5-[[[[(4-CH….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-[[[[(4-CHLOROPHENOXY)ACETYL]AMINO]THIOXOMETHYL]AMINO]-BENZOIC ACID.cml