532416-21-0
2-[[[[[5-(3-CHLOROPHENYL)-2-FURANYL]CARBONYL]AMINO]THIOXOMETHYL]AMINO]-3,5-DIIODO-BENZOIC ACID
Name2-[[[[[5-(3-CHLOROPHENYL)-2-FURANYL]CARBONYL]AMINO]THIOXOMETHYL]AMINO]-3,5-DIIODO-BENZOIC ACID
FormulaC19 H11 Cl I2 N2 O4 S
1Identification
【Name】
2-[[[[[5-(3-CHLOROPHENYL)-2-FURANYL]CARBONYL]AMINO]THIOXOMETHYL]AMINO]-3,5-DIIODO-BENZOIC ACID
【CAS】
【MDL】
MFCD03569737
【English Synonyms】
【Formula】
C19 H11 Cl I2 N2 O4 S
【MolWeight】
652.625
【Inchi】
InChI=1S/C19H11ClI2N2O4S/c20-10-3-1-2-9(6-10)14-4-5-15(28-14)17(25)24-19(29)23-16-12(18(26)27)7-11(21)8-13(16)22/h1-8H,(H,26,27)(H2,23,24,25,29)
【InChIKey】
InChIKey=HDGNMHUOUUYZPG-UHFFFAOYSA-N
【SMILES】
c1cc(cc(c1)Cl)c2ccc(o2)C(=O)NC(=S)Nc3c(cc(cc3I)I)C(=O)O
【MOL File】
2-[[[[[5-(3-CHLOROPH….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:3
H bond acceptor:6
XLogP3:6.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
2-[[[[[5-(3-CHLOROPHENYL)-2-FURANYL]CARBONYL]AMINO]THIOXOMETHYL]AMINO]-3,5-DIIODO-BENZOIC ACID.cml