531547-80-5
5-BROMO-2-[[[[[4-(1,1-DIMETHYLETHYL)PHENOXY]ACETYL]AMINO]THIOXOMETHYL]AMINO]-BENZOIC ACID
Name
5-BROMO-2-[[[[[4-(1,1-DIMETHYLETHYL)PHENOXY]ACETYL]AMINO]THIOXOMETHYL]AMINO]-BENZOIC ACID
Formula
C20 H21 Br N2 O4 S
MolWeight
465.366
1Identification
【Name】
5-BROMO-2-[[[[[4-(1,1-DIMETHYLETHYL)PHENOXY]ACETYL]AMINO]THIOXOMETHYL]AMINO]-BENZOIC ACID
【CAS】
【MDL】
MFCD03566650
【English Synonyms】
【Formula】
C20 H21 Br N2 O4 S
【MolWeight】
465.366
【Inchi】
InChI=1S/C20H21BrN2O4S/c1-20(2,3)12-4-7-14(8-5-12)27-11-17(24)23-19(28)22-16-9-6-13(21)10-15(16)18(25)26/h4-10H,11H2,1-3H3,(H,25,26)(H2,22,23,24,28)
【InChIKey】
InChIKey=HPHLTRGQYJBGFU-UHFFFAOYSA-N
【SMILES】
CC(C)(C)c1ccc(cc1)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
XLogP3:5.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
5-BROMO-2-[[[[[4-(1,1-DIMETHYLETHYL)PHENOXY]ACETYL]AMINO]THIOXOMETHYL]AMINO]-BENZOIC ACID.cml
Quick Release
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AsisChem, Inc.
Catalog No:U88601 nullnull
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Catalog No:U88601 nullnull
Country/Region:United States
Business Type:Trading Company
http://www.AsisChem.com
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