532952-12-8
3,5-DIBROMO-2-[[[[(4-CHLORO-2-METHYLPHENOXY)ACETYL]AMINO]THIOXOMETHYL]AMINO]-BENZOIC ACID
Name
3,5-DIBROMO-2-[[[[(4-CHLORO-2-METHYLPHENOXY)ACETYL]AMINO]THIOXOMETHYL]AMINO]-BENZOIC ACID
Formula
C17 H13 Br2 Cl N2 O4 S
MolWeight
536.627
1Identification
【Name】
3,5-DIBROMO-2-[[[[(4-CHLORO-2-METHYLPHENOXY)ACETYL]AMINO]THIOXOMETHYL]AMINO]-BENZOIC ACID
【CAS】
【MDL】
MFCD03574169
【English Synonyms】
【Formula】
C17 H13 Br2 Cl N2 O4 S
【MolWeight】
536.627
【Inchi】
InChI=1S/C17H13Br2ClN2O4S/c1-8-4-10(20)2-3-13(8)26-7-14(23)21-17(27)22-15-11(16(24)25)5-9(18)6-12(15)19/h2-6H,7H2,1H3,(H,24,25)(H2,21,22,23,27)
【InChIKey】
InChIKey=PZYQPBBLUZLDBI-UHFFFAOYSA-N
【SMILES】
Cc1cc(ccc1OCC(=O)NC(=S)Nc2c(cc(cc2Br)Br)C(=O)O)Cl
【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-[[[[(4-CHLORO-2-METHYLPHENOXY)ACETYL]AMINO]THIOXOMETHYL]AMINO]-BENZOIC ACID.cml
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Catalog No:U85010 nullnull
Country/Region:United States
Business Type:Trading Company
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