532389-63-2
2-[[[[(4-CHLORO-2-METHYLPHENOXY)ACETYL]AMINO]THIOXOMETHYL]AMINO]-5-IODO-BENZOIC ACID
Name2-[[[[(4-CHLORO-2-METHYLPHENOXY)ACETYL]AMINO]THIOXOMETHYL]AMINO]-5-IODO-BENZOIC ACID
FormulaC17 H14 Cl I N2 O4 S
1Identification
【Name】
2-[[[[(4-CHLORO-2-METHYLPHENOXY)ACETYL]AMINO]THIOXOMETHYL]AMINO]-5-IODO-BENZOIC ACID
【CAS】
【MDL】
MFCD03569608
【English Synonyms】
【Formula】
C17 H14 Cl I N2 O4 S
【MolWeight】
504.727
【Inchi】
InChI=1S/C17H14ClIN2O4S/c1-9-6-10(18)2-5-14(9)25-8-15(22)21-17(26)20-13-4-3-11(19)7-12(13)16(23)24/h2-7H,8H2,1H3,(H,23,24)(H2,20,21,22,26)
【InChIKey】
InChIKey=VQSNHJVJJNOUMC-UHFFFAOYSA-N
【SMILES】
Cc1cc(ccc1OCC(=O)NC(=S)Nc2ccc(cc2C(=O)O)I)Cl
【MOL File】
2-[[[[(4-CHLORO-2-ME….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
2-[[[[(4-CHLORO-2-METHYLPHENOXY)ACETYL]AMINO]THIOXOMETHYL]AMINO]-5-IODO-BENZOIC ACID.cml