532938-79-7
4-CHLORO-3-[[[(4-CHLORO-3-NITROBENZOYL)AMINO]THIOXOMETHYL]AMINO]-BENZOIC ACID
Name
4-CHLORO-3-[[[(4-CHLORO-3-NITROBENZOYL)AMINO]THIOXOMETHYL]AMINO]-BENZOIC ACID
Formula
C15 H9 Cl2 N3 O5 S
MolWeight
414.224
1Identification
【Name】
4-CHLORO-3-[[[(4-CHLORO-3-NITROBENZOYL)AMINO]THIOXOMETHYL]AMINO]-BENZOIC ACID
【CAS】
【MDL】
MFCD03568595
【English Synonyms】
【Formula】
C15 H9 Cl2 N3 O5 S
【MolWeight】
414.224
【Inchi】
InChI=1S/C15H9Cl2N3O5S/c16-9-3-2-8(14(22)23)5-11(9)18-15(26)19-13(21)7-1-4-10(17)12(6-7)20(24)25/h1-6H,(H,22,23)(H2,18,19,21,26)
【InChIKey】
InChIKey=OPRFBQYZEZLZTR-UHFFFAOYSA-N
【SMILES】
c1cc(c(cc1C(=O)O)NC(=S)NC(=O)c2ccc(c(c2)[N+](=O)[O-])Cl)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
4-CHLORO-3-[[[(4-CHLORO-3-NITROBENZOYL)AMINO]THIOXOMETHYL]AMINO]-BENZOIC ACID.cml
Quick Release
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Catalog No:U79133 nullnull
Country/Region:United States
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