535980-07-5
3,5-DIBROMO-2-[[[[3-(5-BROMO-2-METHOXYPHENYL)-1-OXO-2-PROPENYL]AMINO]THIOXOMETHYL]AMINO]-BENZOIC ACID
Name
3,5-DIBROMO-2-[[[[3-(5-BROMO-2-METHOXYPHENYL)-1-OXO-2-PROPENYL]AMINO]THIOXOMETHYL]AMINO]-BENZOIC ACID
Formula
C18 H13 Br3 N2 O4 S
MolWeight
593.089
1Identification
【Name】
3,5-DIBROMO-2-[[[[3-(5-BROMO-2-METHOXYPHENYL)-1-OXO-2-PROPENYL]AMINO]THIOXOMETHYL]AMINO]-BENZOIC ACID
【CAS】
【MDL】
MFCD03573292
【English Synonyms】
【Formula】
C18 H13 Br3 N2 O4 S
【MolWeight】
593.089
【Inchi】
InChI=1S/C18H13Br3N2O4S/c1-27-14-4-3-10(19)6-9(14)2-5-15(24)22-18(28)23-16-12(17(25)26)7-11(20)8-13(16)21/h2-8H,1H3,(H,25,26)(H2,22,23,24,28)/b5-2+
【InChIKey】
InChIKey=QPQHODCABVZDTF-GORDUTHDSA-N
【SMILES】
COc1ccc(cc1/C=C/C(=O)NC(=S)Nc2c(cc(cc2Br)Br)C(=O)O)Br
【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-DIBROMO-2-[[[[3-(5-BROMO-2-METHOXYPHENYL)-1-OXO-2-PROPENYL]AMINO]THIOXOMETHYL]AMINO]-BENZOIC ACID.cml
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Catalog No:U87149 nullnull
Country/Region:United States
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