530147-00-3
5-BROMO-2-[[[[[5-(3-NITROPHENYL)-2-FURANYL]CARBONYL]AMINO]THIOXOMETHYL]AMINO]-BENZOIC ACID
Name
5-BROMO-2-[[[[[5-(3-NITROPHENYL)-2-FURANYL]CARBONYL]AMINO]THIOXOMETHYL]AMINO]-BENZOIC ACID
Formula
C19 H12 Br N3 O6 S
MolWeight
490.289
1Identification
【Name】
5-BROMO-2-[[[[[5-(3-NITROPHENYL)-2-FURANYL]CARBONYL]AMINO]THIOXOMETHYL]AMINO]-BENZOIC ACID
【CAS】
【MDL】
MFCD03564726
【English Synonyms】
【Formula】
C19 H12 Br N3 O6 S
【MolWeight】
490.289
【Inchi】
InChI=1S/C19H12BrN3O6S/c20-11-4-5-14(13(9-11)18(25)26)21-19(30)22-17(24)16-7-6-15(29-16)10-2-1-3-12(8-10)23(27)28/h1-9H,(H,25,26)(H2,21,22,24,30)
【InChIKey】
InChIKey=QDIWESHDOALFPC-UHFFFAOYSA-N
【SMILES】
c1cc(cc(c1)[N+](=O)[O-])c2ccc(o2)C(=O)NC(=S)Nc3ccc(cc3C(=O)O)Br
【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
5-BROMO-2-[[[[[5-(3-NITROPHENYL)-2-FURANYL]CARBONYL]AMINO]THIOXOMETHYL]AMINO]-BENZOIC ACID.cml
Quick Release
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Catalog No:U75557 nullnull
Country/Region:United States
Business Type:Trading Company
http://www.AsisChem.com
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