530138-79-5
3,5-DIIODO-2-[[[[(3-METHYLPHENOXY)ACETYL]AMINO]THIOXOMETHYL]AMINO]-BENZOIC ACID
Name
3,5-DIIODO-2-[[[[(3-METHYLPHENOXY)ACETYL]AMINO]THIOXOMETHYL]AMINO]-BENZOIC ACID
Formula
C17 H14 I2 N2 O4 S
MolWeight
596.174
1Identification
【Name】
3,5-DIIODO-2-[[[[(3-METHYLPHENOXY)ACETYL]AMINO]THIOXOMETHYL]AMINO]-BENZOIC ACID
【CAS】
【MDL】
MFCD03564388
【English Synonyms】
【Formula】
C17 H14 I2 N2 O4 S
【MolWeight】
596.174
【Inchi】
InChI=1S/C17H14I2N2O4S/c1-9-3-2-4-11(5-9)25-8-14(22)20-17(26)21-15-12(16(23)24)6-10(18)7-13(15)19/h2-7H,8H2,1H3,(H,23,24)(H2,20,21,22,26)
【InChIKey】
InChIKey=VACGKEUTCKVJRQ-UHFFFAOYSA-N
【SMILES】
Cc1cccc(c1)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
XLogP3:5.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
3,5-DIIODO-2-[[[[(3-METHYLPHENOXY)ACETYL]AMINO]THIOXOMETHYL]AMINO]-BENZOIC ACID.cml
Quick Release
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Catalog No:U75928 nullnull
Country/Region:United States
Business Type:Trading Company
http://www.AsisChem.com
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