532415-87-5
3,5-DICHLORO-2-[[[(3,5-DINITROBENZOYL)AMINO]THIOXOMETHYL]AMINO]-BENZOIC ACID
Name
3,5-DICHLORO-2-[[[(3,5-DINITROBENZOYL)AMINO]THIOXOMETHYL]AMINO]-BENZOIC ACID
Formula
C15 H8 Cl2 N4 O7 S
MolWeight
459.221
1Identification
【Name】
3,5-DICHLORO-2-[[[(3,5-DINITROBENZOYL)AMINO]THIOXOMETHYL]AMINO]-BENZOIC ACID
【CAS】
【MDL】
MFCD03569720
【English Synonyms】
【Formula】
C15 H8 Cl2 N4 O7 S
【MolWeight】
459.221
【Inchi】
InChI=1S/C15H8Cl2N4O7S/c16-7-3-10(14(23)24)12(11(17)4-7)18-15(29)19-13(22)6-1-8(20(25)26)5-9(2-6)21(27)28/h1-5H,(H,23,24)(H2,18,19,22,29)
【InChIKey】
InChIKey=FHAVBVVEIRFEMB-UHFFFAOYSA-N
【SMILES】
c1c(cc(cc1[N+](=O)[O-])[N+](=O)[O-])C(=O)NC(=S)Nc2c(cc(cc2Cl)Cl)C(=O)O
【MOL File】
2Chemical and Physical Properties
【Computed Properties】
H bond donor:3
H bond acceptor:11
XLogP3:3.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
3,5-DICHLORO-2-[[[(3,5-DINITROBENZOYL)AMINO]THIOXOMETHYL]AMINO]-BENZOIC ACID.cml
Quick Release
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Catalog No:U86096 nullnull
Country/Region:United States
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