531516-04-8
5-IODO-2-[[[[(4-NITROPHENOXY)ACETYL]AMINO]THIOXOMETHYL]AMINO]-BENZOIC ACID
Name
5-IODO-2-[[[[(4-NITROPHENOXY)ACETYL]AMINO]THIOXOMETHYL]AMINO]-BENZOIC ACID
Formula
C16 H12 I N3 O6 S
MolWeight
501.252
1Identification
【Name】
5-IODO-2-[[[[(4-NITROPHENOXY)ACETYL]AMINO]THIOXOMETHYL]AMINO]-BENZOIC ACID
【CAS】
【MDL】
MFCD03565541
【English Synonyms】
【Formula】
C16 H12 I N3 O6 S
【MolWeight】
501.252
【Inchi】
InChI=1S/C16H12IN3O6S/c17-9-1-6-13(12(7-9)15(22)23)18-16(27)19-14(21)8-26-11-4-2-10(3-5-11)20(24)25/h1-7H,8H2,(H,22,23)(H2,18,19,21,27)
【InChIKey】
InChIKey=FODSSHPLCQWWLG-UHFFFAOYSA-N
【SMILES】
c1cc(ccc1[N+](=O)[O-])OCC(=O)NC(=S)Nc2ccc(cc2C(=O)O)I
【MOL File】
2Chemical and Physical Properties
【Computed Properties】
H bond donor:3
H bond acceptor:9
XLogP3:3.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
5-IODO-2-[[[[(4-NITROPHENOXY)ACETYL]AMINO]THIOXOMETHYL]AMINO]-BENZOIC ACID.cml
Quick Release
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AsisChem, Inc.
Catalog No:U80448 nullnull
Country/Region:United States
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Catalog No:U80448 nullnull
Country/Region:United States
Business Type:Trading Company
http://www.AsisChem.com
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