535964-54-6
5-BROMO-2-[[[(2,5-DICHLOROBENZOYL)AMINO]THIOXOMETHYL]AMINO]-BENZOIC ACID
Name
5-BROMO-2-[[[(2,5-DICHLOROBENZOYL)AMINO]THIOXOMETHYL]AMINO]-BENZOIC ACID
Formula
C15 H9 Br Cl2 N2 O3 S
MolWeight
448.123
1Identification
【Name】
5-BROMO-2-[[[(2,5-DICHLOROBENZOYL)AMINO]THIOXOMETHYL]AMINO]-BENZOIC ACID
【CAS】
【MDL】
MFCD03572725
【English Synonyms】
【Formula】
C15 H9 Br Cl2 N2 O3 S
【MolWeight】
448.123
【Inchi】
InChI=1S/C15H9BrCl2N2O3S/c16-7-1-4-12(10(5-7)14(22)23)19-15(24)20-13(21)9-6-8(17)2-3-11(9)18/h1-6H,(H,22,23)(H2,19,20,21,24)
【InChIKey】
InChIKey=UIVKHMVCKSOJBX-UHFFFAOYSA-N
【SMILES】
c1cc(c(cc1Cl)C(=O)NC(=S)Nc2ccc(cc2C(=O)O)Br)Cl
【MOL File】
2Chemical and Physical Properties
【Computed Properties】
H bond donor:3
H bond acceptor:5
XLogP3:5.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
5-BROMO-2-[[[(2,5-DICHLOROBENZOYL)AMINO]THIOXOMETHYL]AMINO]-BENZOIC ACID.cml
Quick Release
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Catalog No:U76240 nullnull
Country/Region:United States
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