535948-74-4
3,5-DIBROMO-2-[[[[(4-CHLORO-3,5-DIMETHYLPHENOXY)ACETYL]AMINO]THIOXOMETHYL]AMINO]-BENZOIC ACID
Name
3,5-DIBROMO-2-[[[[(4-CHLORO-3,5-DIMETHYLPHENOXY)ACETYL]AMINO]THIOXOMETHYL]AMINO]-BENZOIC ACID
Formula
C18 H15 Br2 Cl N2 O4 S
MolWeight
550.654
1Identification
【Name】
3,5-DIBROMO-2-[[[[(4-CHLORO-3,5-DIMETHYLPHENOXY)ACETYL]AMINO]THIOXOMETHYL]AMINO]-BENZOIC ACID
【CAS】
【MDL】
MFCD03572087
【English Synonyms】
【Formula】
C18 H15 Br2 Cl N2 O4 S
【MolWeight】
550.654
【Inchi】
InChI=1S/C18H15Br2ClN2O4S/c1-8-3-11(4-9(2)15(8)21)27-7-14(24)22-18(28)23-16-12(17(25)26)5-10(19)6-13(16)20/h3-6H,7H2,1-2H3,(H,25,26)(H2,22,23,24,28)
【InChIKey】
InChIKey=ZDXMLMVXZNXNMQ-UHFFFAOYSA-N
【SMILES】
Cc1cc(cc(c1Cl)C)OCC(=O)NC(=S)Nc2c(cc(cc2Br)Br)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
3,5-DIBROMO-2-[[[[(4-CHLORO-3,5-DIMETHYLPHENOXY)ACETYL]AMINO]THIOXOMETHYL]AMINO]-BENZOIC ACID.cml
Quick Release
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Catalog No:U81144 nullnull
Country/Region:United States
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http://www.AsisChem.com
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