531515-49-8
2-[[[[(4-BROMOPHENOXY)ACETYL]AMINO]THIOXOMETHYL]AMINO]-3,5-DIIODO-BENZOIC ACID
Name
2-[[[[(4-BROMOPHENOXY)ACETYL]AMINO]THIOXOMETHYL]AMINO]-3,5-DIIODO-BENZOIC ACID
Formula
C16 H11 Br I2 N2 O4 S
MolWeight
661.043
1Identification
【Name】
2-[[[[(4-BROMOPHENOXY)ACETYL]AMINO]THIOXOMETHYL]AMINO]-3,5-DIIODO-BENZOIC ACID
【CAS】
【MDL】
MFCD03565488
【English Synonyms】
【Formula】
C16 H11 Br I2 N2 O4 S
【MolWeight】
661.043
【Inchi】
InChI=1S/C16H11BrI2N2O4S/c17-8-1-3-10(4-2-8)25-7-13(22)20-16(26)21-14-11(15(23)24)5-9(18)6-12(14)19/h1-6H,7H2,(H,23,24)(H2,20,21,22,26)
【InChIKey】
InChIKey=BXQLQGSFAAWUKP-UHFFFAOYSA-N
【SMILES】
c1cc(ccc1OCC(=O)NC(=S)Nc2c(cc(cc2I)I)C(=O)O)Br
【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-[[[[(4-BROMOPHENOXY)ACETYL]AMINO]THIOXOMETHYL]AMINO]-3,5-DIIODO-BENZOIC ACID.cml
Quick Release
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AsisChem, Inc.
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Catalog No:U76268 nullnull
Country/Region:United States
Business Type:Trading Company
http://www.AsisChem.com
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