531545-20-7
2-CHLORO-5-[[[[(2-NITROPHENOXY)ACETYL]AMINO]THIOXOMETHYL]AMINO]-BENZOIC ACID
Name
2-CHLORO-5-[[[[(2-NITROPHENOXY)ACETYL]AMINO]THIOXOMETHYL]AMINO]-BENZOIC ACID
Formula
C16 H12 Cl N3 O6 S
MolWeight
409.805
1Identification
【Name】
2-CHLORO-5-[[[[(2-NITROPHENOXY)ACETYL]AMINO]THIOXOMETHYL]AMINO]-BENZOIC ACID
【CAS】
【MDL】
MFCD03566530
【English Synonyms】
【Formula】
C16 H12 Cl N3 O6 S
【MolWeight】
409.805
【Inchi】
InChI=1S/C16H12ClN3O6S/c17-11-6-5-9(7-10(11)15(22)23)18-16(27)19-14(21)8-26-13-4-2-1-3-12(13)20(24)25/h1-7H,8H2,(H,22,23)(H2,18,19,21,27)
【InChIKey】
InChIKey=OASXUPUCGGRIED-UHFFFAOYSA-N
【SMILES】
c1ccc(c(c1)[N+](=O)[O-])OCC(=O)NC(=S)Nc2ccc(c(c2)C(=O)O)Cl
【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
2-CHLORO-5-[[[[(2-NITROPHENOXY)ACETYL]AMINO]THIOXOMETHYL]AMINO]-BENZOIC ACID.cml
Quick Release
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AsisChem, Inc.
Catalog No:U80770 nullnull
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Catalog No:U80770 nullnull
Country/Region:United States
Business Type:Trading Company
http://www.AsisChem.com
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