536982-36-2
4-CHLORO-3-[[[[[5-(3-CHLOROPHENYL)-2-FURANYL]CARBONYL]AMINO]THIOXOMETHYL]AMINO]-BENZOIC ACID
Name4-CHLORO-3-[[[[[5-(3-CHLOROPHENYL)-2-FURANYL]CARBONYL]AMINO]THIOXOMETHYL]AMINO]-BENZOIC ACID
FormulaC19 H12 Cl2 N2 O4 S
1Identification
【Name】
4-CHLORO-3-[[[[[5-(3-CHLOROPHENYL)-2-FURANYL]CARBONYL]AMINO]THIOXOMETHYL]AMINO]-BENZOIC ACID
【CAS】
【MDL】
MFCD03573624
【English Synonyms】
【Formula】
C19 H12 Cl2 N2 O4 S
【MolWeight】
435.286
【Inchi】
InChI=1S/C19H12Cl2N2O4S/c20-12-3-1-2-10(8-12)15-6-7-16(27-15)17(24)23-19(28)22-14-9-11(18(25)26)4-5-13(14)21/h1-9H,(H,25,26)(H2,22,23,24,28)
【InChIKey】
InChIKey=OQYYAFXDHASULN-UHFFFAOYSA-N
【SMILES】
c1cc(cc(c1)Cl)c2ccc(o2)C(=O)NC(=S)Nc3cc(ccc3Cl)C(=O)O
【MOL File】
4-CHLORO-3-[[[[[5-(3….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-[[[[[5-(3-CHLOROPHENYL)-2-FURANYL]CARBONYL]AMINO]THIOXOMETHYL]AMINO]-BENZOIC ACID.cml