535980-02-0
2-CHLORO-5-[[[[3-(3-NITROPHENYL)-1-OXO-2-PROPENYL]AMINO]THIOXOMETHYL]AMINO]-BENZOIC ACID
Name
2-CHLORO-5-[[[[3-(3-NITROPHENYL)-1-OXO-2-PROPENYL]AMINO]THIOXOMETHYL]AMINO]-BENZOIC ACID
Formula
C17 H12 Cl N3 O5 S
MolWeight
405.817
1Identification
【Name】
2-CHLORO-5-[[[[3-(3-NITROPHENYL)-1-OXO-2-PROPENYL]AMINO]THIOXOMETHYL]AMINO]-BENZOIC ACID
【CAS】
【MDL】
MFCD03573288
【English Synonyms】
【Formula】
C17 H12 Cl N3 O5 S
【MolWeight】
405.817
【Inchi】
InChI=1S/C17H12ClN3O5S/c18-14-6-5-11(9-13(14)16(23)24)19-17(27)20-15(22)7-4-10-2-1-3-12(8-10)21(25)26/h1-9H,(H,23,24)(H2,19,20,22,27)/b7-4+
【InChIKey】
InChIKey=JTDJRSSWMRESEY-QPJJXVBHSA-N
【SMILES】
c1cc(cc(c1)[N+](=O)[O-])/C=C/C(=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:8
XLogP3:3.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
2-CHLORO-5-[[[[3-(3-NITROPHENYL)-1-OXO-2-PROPENYL]AMINO]THIOXOMETHYL]AMINO]-BENZOIC ACID.cml
Quick Release
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AsisChem, Inc.
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Catalog No:U81725 nullnull
Country/Region:United States
Business Type:Trading Company
http://www.AsisChem.com
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