531537-97-0
2-[[[[(2,4-DICHLOROPHENOXY)ACETYL]AMINO]THIOXOMETHYL]AMINO]-3,5-DIIODO-BENZOIC ACID
Name
2-[[[[(2,4-DICHLOROPHENOXY)ACETYL]AMINO]THIOXOMETHYL]AMINO]-3,5-DIIODO-BENZOIC ACID
Formula
C16 H10 Cl2 I2 N2 O4 S
MolWeight
651.037
1Identification
【Name】
2-[[[[(2,4-DICHLOROPHENOXY)ACETYL]AMINO]THIOXOMETHYL]AMINO]-3,5-DIIODO-BENZOIC ACID
【CAS】
【MDL】
MFCD03567081
【English Synonyms】
【Formula】
C16 H10 Cl2 I2 N2 O4 S
【MolWeight】
651.037
【Inchi】
InChI=1S/C16H10Cl2I2N2O4S/c17-7-1-2-12(10(18)3-7)26-6-13(23)21-16(27)22-14-9(15(24)25)4-8(19)5-11(14)20/h1-5H,6H2,(H,24,25)(H2,21,22,23,27)
【InChIKey】
InChIKey=SZPDTDDCJQMONF-UHFFFAOYSA-N
【SMILES】
c1cc(c(cc1Cl)Cl)OCC(=O)NC(=S)Nc2c(cc(cc2I)I)C(=O)O
【MOL File】
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-[[[[(2,4-DICHLOROPHENOXY)ACETYL]AMINO]THIOXOMETHYL]AMINO]-3,5-DIIODO-BENZOIC ACID.cml
Quick Release
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Catalog No:U83387 nullnull
Country/Region:United States
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