532940-59-3
4-[[[[(2-NITROPHENOXY)ACETYL]AMINO]THIOXOMETHYL]AMINO]-BENZOIC ACID
Name
4-[[[[(2-NITROPHENOXY)ACETYL]AMINO]THIOXOMETHYL]AMINO]-BENZOIC ACID
Formula
C16 H13 N3 O6 S
MolWeight
375.36
1Identification
【Name】
4-[[[[(2-NITROPHENOXY)ACETYL]AMINO]THIOXOMETHYL]AMINO]-BENZOIC ACID
【CAS】
【MDL】
MFCD03568758
【English Synonyms】
【Formula】
C16 H13 N3 O6 S
【MolWeight】
375.36
【Inchi】
InChI=1S/C16H13N3O6S/c20-14(9-25-13-4-2-1-3-12(13)19(23)24)18-16(26)17-11-7-5-10(6-8-11)15(21)22/h1-8H,9H2,(H,21,22)(H2,17,18,20,26)
【InChIKey】
InChIKey=PVKXLKNWHKSOBR-UHFFFAOYSA-N
【SMILES】
c1ccc(c(c1)[N+](=O)[O-])OCC(=O)NC(=S)Nc2ccc(cc2)C(=O)O
【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
4-[[[[(2-NITROPHENOXY)ACETYL]AMINO]THIOXOMETHYL]AMINO]-BENZOIC ACID.cml
Quick Release
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AsisChem, Inc.
Catalog No:U74835 nullnull
Country/Region:United States
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Catalog No:U74835 nullnull
Country/Region:United States
Business Type:Trading Company
http://www.AsisChem.com
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