532421-01-5
2-[[[[[5-(4-BROMOPHENYL)-2-FURANYL]CARBONYL]AMINO]THIOXOMETHYL]AMINO]-3,5-DIIODO-BENZOIC ACID
Name
2-[[[[[5-(4-BROMOPHENYL)-2-FURANYL]CARBONYL]AMINO]THIOXOMETHYL]AMINO]-3,5-DIIODO-BENZOIC ACID
Formula
C19 H11 Br I2 N2 O4 S
MolWeight
697.076
1Identification
【Name】
2-[[[[[5-(4-BROMOPHENYL)-2-FURANYL]CARBONYL]AMINO]THIOXOMETHYL]AMINO]-3,5-DIIODO-BENZOIC ACID
【CAS】
【MDL】
MFCD03569947
【English Synonyms】
【Formula】
C19 H11 Br I2 N2 O4 S
【MolWeight】
697.076
【Inchi】
InChI=1S/C19H11BrI2N2O4S/c20-10-3-1-9(2-4-10)14-5-6-15(28-14)17(25)24-19(29)23-16-12(18(26)27)7-11(21)8-13(16)22/h1-8H,(H,26,27)(H2,23,24,25,29)
【InChIKey】
InChIKey=JDQXDQAWLGHIOK-UHFFFAOYSA-N
【SMILES】
c1cc(ccc1c2ccc(o2)C(=O)NC(=S)Nc3c(cc(cc3I)I)C(=O)O)Br
【MOL File】
2Chemical and Physical Properties
【Computed Properties】
H bond donor:3
H bond acceptor:6
XLogP3:7.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
2-[[[[[5-(4-BROMOPHENYL)-2-FURANYL]CARBONYL]AMINO]THIOXOMETHYL]AMINO]-3,5-DIIODO-BENZOIC ACID.cml
Quick Release
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Catalog No:U90658 nullnull
Country/Region:United States
Business Type:Trading Company
http://www.AsisChem.com
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