532940-41-3
5-CHLORO-2-[[[(4-ETHOXY-3-NITROBENZOYL)AMINO]THIOXOMETHYL]AMINO]-BENZOIC ACID
Name
5-CHLORO-2-[[[(4-ETHOXY-3-NITROBENZOYL)AMINO]THIOXOMETHYL]AMINO]-BENZOIC ACID
Formula
C17 H14 Cl N3 O6 S
MolWeight
423.832
1Identification
【Name】
5-CHLORO-2-[[[(4-ETHOXY-3-NITROBENZOYL)AMINO]THIOXOMETHYL]AMINO]-BENZOIC ACID
【CAS】
【MDL】
MFCD03568739
【English Synonyms】
【Formula】
C17 H14 Cl N3 O6 S
【MolWeight】
423.832
【Inchi】
InChI=1S/C17H14ClN3O6S/c1-2-27-14-6-3-9(7-13(14)21(25)26)15(22)20-17(28)19-12-5-4-10(18)8-11(12)16(23)24/h3-8H,2H2,1H3,(H,23,24)(H2,19,20,22,28)
【InChIKey】
InChIKey=PPPWFRGQZKGPEA-UHFFFAOYSA-N
【SMILES】
CCOc1ccc(cc1[N+](=O)[O-])C(=O)NC(=S)Nc2ccc(cc2C(=O)O)Cl
【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-CHLORO-2-[[[(4-ETHOXY-3-NITROBENZOYL)AMINO]THIOXOMETHYL]AMINO]-BENZOIC ACID.cml
Quick Release
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Catalog No:U90899 nullnull
Country/Region:United States
Business Type:Trading Company
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