532953-15-4
2-[[[[(4-BROMOPHENOXY)ACETYL]AMINO]THIOXOMETHYL]AMINO]-5-IODO-BENZOIC ACID
Name
2-[[[[(4-BROMOPHENOXY)ACETYL]AMINO]THIOXOMETHYL]AMINO]-5-IODO-BENZOIC ACID
Formula
C16 H12 Br I N2 O4 S
MolWeight
535.151
1Identification
【Name】
2-[[[[(4-BROMOPHENOXY)ACETYL]AMINO]THIOXOMETHYL]AMINO]-5-IODO-BENZOIC ACID
【CAS】
【MDL】
MFCD03574183
【English Synonyms】
【Formula】
C16 H12 Br I N2 O4 S
【MolWeight】
535.151
【Inchi】
InChI=1S/C16H12BrIN2O4S/c17-9-1-4-11(5-2-9)24-8-14(21)20-16(25)19-13-6-3-10(18)7-12(13)15(22)23/h1-7H,8H2,(H,22,23)(H2,19,20,21,25)
【InChIKey】
InChIKey=BPKCYAFSWGCZOE-UHFFFAOYSA-N
【SMILES】
c1cc(ccc1OCC(=O)NC(=S)Nc2ccc(cc2C(=O)O)I)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
2-[[[[(4-BROMOPHENOXY)ACETYL]AMINO]THIOXOMETHYL]AMINO]-5-IODO-BENZOIC ACID.cml
Quick Release
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AsisChem, Inc.
Catalog No:U77434 nullnull
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Catalog No:U77434 nullnull
Country/Region:United States
Business Type:Trading Company
http://www.AsisChem.com
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