532429-75-7
4-[[[[(4-BROMOPHENOXY)ACETYL]AMINO]THIOXOMETHYL]AMINO]-BENZOIC ACID
Name
4-[[[[(4-BROMOPHENOXY)ACETYL]AMINO]THIOXOMETHYL]AMINO]-BENZOIC ACID
Formula
C16 H13 Br N2 O4 S
MolWeight
409.259
1Identification
【Name】
4-[[[[(4-BROMOPHENOXY)ACETYL]AMINO]THIOXOMETHYL]AMINO]-BENZOIC ACID
【CAS】
【MDL】
MFCD03570059
【English Synonyms】
【Formula】
C16 H13 Br N2 O4 S
【MolWeight】
409.259
【Inchi】
InChI=1S/C16H13BrN2O4S/c17-11-3-7-13(8-4-11)23-9-14(20)19-16(24)18-12-5-1-10(2-6-12)15(21)22/h1-8H,9H2,(H,21,22)(H2,18,19,20,24)
【InChIKey】
InChIKey=TVKLWWYJLWDFGX-UHFFFAOYSA-N
【SMILES】
c1cc(ccc1C(=O)O)NC(=S)NC(=O)COc2ccc(cc2)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
4-[[[[(4-BROMOPHENOXY)ACETYL]AMINO]THIOXOMETHYL]AMINO]-BENZOIC ACID.cml
Quick Release
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AsisChem, Inc.
Catalog No:U87109 nullnull
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Catalog No:U87109 nullnull
Country/Region:United States
Business Type:Trading Company
http://www.AsisChem.com
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