533920-70-6
2-[[[(3-CHLOROBENZOYL)AMINO]THIOXOMETHYL]AMINO]-3,5-DIIODO-BENZOIC ACID
Name2-[[[(3-CHLOROBENZOYL)AMINO]THIOXOMETHYL]AMINO]-3,5-DIIODO-BENZOIC ACID
FormulaC15 H9 Cl I2 N2 O3 S
1Identification
【Name】
2-[[[(3-CHLOROBENZOYL)AMINO]THIOXOMETHYL]AMINO]-3,5-DIIODO-BENZOIC ACID
【CAS】
【MDL】
MFCD03569015
【English Synonyms】
【Formula】
C15 H9 Cl I2 N2 O3 S
【MolWeight】
586.566
【Inchi】
InChI=1S/C15H9ClI2N2O3S/c16-8-3-1-2-7(4-8)13(21)20-15(24)19-12-10(14(22)23)5-9(17)6-11(12)18/h1-6H,(H,22,23)(H2,19,20,21,24)
【InChIKey】
InChIKey=UXWSXGMDVXWMNG-UHFFFAOYSA-N
【SMILES】
c1cc(cc(c1)Cl)C(=O)NC(=S)Nc2c(cc(cc2I)I)C(=O)O
【MOL File】
2-[[[(3-CHLOROBENZOY….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:3
H bond acceptor:5
XLogP3:5.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
2-[[[(3-CHLOROBENZOYL)AMINO]THIOXOMETHYL]AMINO]-3,5-DIIODO-BENZOIC ACID.cml