532947-75-4
3-[[[[[5-(3-NITROPHENYL)-2-FURANYL]CARBONYL]AMINO]THIOXOMETHYL]AMINO]-BENZOIC ACID
Name
3-[[[[[5-(3-NITROPHENYL)-2-FURANYL]CARBONYL]AMINO]THIOXOMETHYL]AMINO]-BENZOIC ACID
Formula
C19 H13 N3 O6 S
MolWeight
411.393
1Identification
【Name】
3-[[[[[5-(3-NITROPHENYL)-2-FURANYL]CARBONYL]AMINO]THIOXOMETHYL]AMINO]-BENZOIC ACID
【CAS】
【MDL】
MFCD03573808
【English Synonyms】
【Formula】
C19 H13 N3 O6 S
【MolWeight】
411.393
【Inchi】
InChI=1S/C19H13N3O6S/c23-17(21-19(29)20-13-5-1-4-12(9-13)18(24)25)16-8-7-15(28-16)11-3-2-6-14(10-11)22(26)27/h1-10H,(H,24,25)(H2,20,21,23,29)
【InChIKey】
InChIKey=VRXLLYRCQSYANB-UHFFFAOYSA-N
【SMILES】
c1cc(cc(c1)[N+](=O)[O-])c2ccc(o2)C(=O)NC(=S)Nc3cccc(c3)C(=O)O
【MOL File】
2Chemical and Physical Properties
【Computed Properties】
H bond donor:3
H bond acceptor:9
XLogP3:4.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
3-[[[[[5-(3-NITROPHENYL)-2-FURANYL]CARBONYL]AMINO]THIOXOMETHYL]AMINO]-BENZOIC ACID.cml
Quick Release
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Catalog No:U83175 nullnull
Country/Region:United States
Business Type:Trading Company
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