532421-85-5
2-METHYL-3-[[[[(4-NITROPHENOXY)ACETYL]AMINO]THIOXOMETHYL]AMINO]-BENZOIC ACID
Name
2-METHYL-3-[[[[(4-NITROPHENOXY)ACETYL]AMINO]THIOXOMETHYL]AMINO]-BENZOIC ACID
Formula
C17 H15 N3 O6 S
MolWeight
389.387
1Identification
【Name】
2-METHYL-3-[[[[(4-NITROPHENOXY)ACETYL]AMINO]THIOXOMETHYL]AMINO]-BENZOIC ACID
【CAS】
【MDL】
MFCD03569983
【English Synonyms】
【Formula】
C17 H15 N3 O6 S
【MolWeight】
389.387
【Inchi】
InChI=1S/C17H15N3O6S/c1-10-13(16(22)23)3-2-4-14(10)18-17(27)19-15(21)9-26-12-7-5-11(6-8-12)20(24)25/h2-8H,9H2,1H3,(H,22,23)(H2,18,19,21,27)
【InChIKey】
InChIKey=KODIGWWFSARXTN-UHFFFAOYSA-N
【SMILES】
Cc1c(cccc1NC(=S)NC(=O)COc2ccc(cc2)[N+](=O)[O-])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
2-METHYL-3-[[[[(4-NITROPHENOXY)ACETYL]AMINO]THIOXOMETHYL]AMINO]-BENZOIC ACID.cml
Quick Release
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AsisChem, Inc.
Catalog No:U74814 nullnull
Country/Region:United States
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Catalog No:U74814 nullnull
Country/Region:United States
Business Type:Trading Company
http://www.AsisChem.com
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