531515-53-4
5-CHLORO-2-[[[[3-(4-CHLORO-3-NITROPHENYL)-1-OXO-2-PROPENYL]AMINO]THIOXOMETHYL]AMINO]-BENZOIC ACID
Name
5-CHLORO-2-[[[[3-(4-CHLORO-3-NITROPHENYL)-1-OXO-2-PROPENYL]AMINO]THIOXOMETHYL]AMINO]-BENZOIC ACID
Formula
C17 H11 Cl2 N3 O5 S
MolWeight
440.262
1Identification
【Name】
5-CHLORO-2-[[[[3-(4-CHLORO-3-NITROPHENYL)-1-OXO-2-PROPENYL]AMINO]THIOXOMETHYL]AMINO]-BENZOIC ACID
【CAS】
【MDL】
MFCD03565491
【English Synonyms】
【Formula】
C17 H11 Cl2 N3 O5 S
【MolWeight】
440.262
【Inchi】
InChI=1S/C17H11Cl2N3O5S/c18-10-3-5-13(11(8-10)16(24)25)20-17(28)21-15(23)6-2-9-1-4-12(19)14(7-9)22(26)27/h1-8H,(H,24,25)(H2,20,21,23,28)/b6-2+
【InChIKey】
InChIKey=DLAJSEYPUIEINM-QHHAFSJGSA-N
【SMILES】
c1cc(c(cc1/C=C/C(=O)NC(=S)Nc2ccc(cc2C(=O)O)Cl)[N+](=O)[O-])Cl
【MOL File】
2Chemical and Physical Properties
【Computed Properties】
H bond donor:3
H bond acceptor:8
XLogP3:4.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
5-CHLORO-2-[[[[3-(4-CHLORO-3-NITROPHENYL)-1-OXO-2-PROPENYL]AMINO]THIOXOMETHYL]AMINO]-BENZOIC ACID.cml
Quick Release
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Catalog No:U77523 nullnull
Country/Region:United States
Business Type:Trading Company
http://www.AsisChem.com
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