536983-21-8
5-BROMO-2-[[[[(4-CHLORO-3-METHYLPHENOXY)ACETYL]AMINO]THIOXOMETHYL]AMINO]-BENZOIC ACID
Name
5-BROMO-2-[[[[(4-CHLORO-3-METHYLPHENOXY)ACETYL]AMINO]THIOXOMETHYL]AMINO]-BENZOIC ACID
Formula
C17 H14 Br Cl N2 O4 S
MolWeight
457.731
1Identification
【Name】
5-BROMO-2-[[[[(4-CHLORO-3-METHYLPHENOXY)ACETYL]AMINO]THIOXOMETHYL]AMINO]-BENZOIC ACID
【CAS】
【MDL】
MFCD03573651
【English Synonyms】
【Formula】
C17 H14 Br Cl N2 O4 S
【MolWeight】
457.731
【Inchi】
InChI=1S/C17H14BrClN2O4S/c1-9-6-11(3-4-13(9)19)25-8-15(22)21-17(26)20-14-5-2-10(18)7-12(14)16(23)24/h2-7H,8H2,1H3,(H,23,24)(H2,20,21,22,26)
【InChIKey】
InChIKey=IYPQXRJLSUKSEW-UHFFFAOYSA-N
【SMILES】
Cc1cc(ccc1Cl)OCC(=O)NC(=S)Nc2ccc(cc2C(=O)O)Br
【MOL File】
2Chemical and Physical Properties
【Computed Properties】
H bond donor:3
H bond acceptor:6
XLogP3:4.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
5-BROMO-2-[[[[(4-CHLORO-3-METHYLPHENOXY)ACETYL]AMINO]THIOXOMETHYL]AMINO]-BENZOIC ACID.cml
Quick Release
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Catalog No:U81155 nullnull
Country/Region:United States
Business Type:Trading Company
http://www.AsisChem.com
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