532938-60-6
2-CHLORO-5-[[[[[4-(1,1-DIMETHYLETHYL)PHENOXY]ACETYL]AMINO]THIOXOMETHYL]AMINO]-BENZOIC ACID
Name
2-CHLORO-5-[[[[[4-(1,1-DIMETHYLETHYL)PHENOXY]ACETYL]AMINO]THIOXOMETHYL]AMINO]-BENZOIC ACID
Formula
C20 H21 Cl N2 O4 S
MolWeight
420.915
1Identification
【Name】
2-CHLORO-5-[[[[[4-(1,1-DIMETHYLETHYL)PHENOXY]ACETYL]AMINO]THIOXOMETHYL]AMINO]-BENZOIC ACID
【CAS】
【MDL】
MFCD03568576
【English Synonyms】
【Formula】
C20 H21 Cl N2 O4 S
【MolWeight】
420.915
【Inchi】
InChI=1S/C20H21ClN2O4S/c1-20(2,3)12-4-7-14(8-5-12)27-11-17(24)23-19(28)22-13-6-9-16(21)15(10-13)18(25)26/h4-10H,11H2,1-3H3,(H,25,26)(H2,22,23,24,28)
【InChIKey】
InChIKey=HNXZDDBLMJBVEC-UHFFFAOYSA-N
【SMILES】
CC(C)(C)c1ccc(cc1)OCC(=O)NC(=S)Nc2ccc(c(c2)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
2-CHLORO-5-[[[[[4-(1,1-DIMETHYLETHYL)PHENOXY]ACETYL]AMINO]THIOXOMETHYL]AMINO]-BENZOIC ACID.cml
Quick Release
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Catalog No:U78093 nullnull
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Catalog No:U78093 nullnull
Country/Region:United States
Business Type:Trading Company
http://www.AsisChem.com
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