530150-01-7
5-BROMO-2-[[[(2,3-DICHLOROBENZOYL)AMINO]THIOXOMETHYL]AMINO]-BENZOIC ACID
Name
5-BROMO-2-[[[(2,3-DICHLOROBENZOYL)AMINO]THIOXOMETHYL]AMINO]-BENZOIC ACID
Formula
C15 H9 Br Cl2 N2 O3 S
MolWeight
448.123
1Identification
【Name】
5-BROMO-2-[[[(2,3-DICHLOROBENZOYL)AMINO]THIOXOMETHYL]AMINO]-BENZOIC ACID
【CAS】
【MDL】
MFCD03564981
【English Synonyms】
【Formula】
C15 H9 Br Cl2 N2 O3 S
【MolWeight】
448.123
【Inchi】
InChI=1S/C15H9BrCl2N2O3S/c16-7-4-5-11(9(6-7)14(22)23)19-15(24)20-13(21)8-2-1-3-10(17)12(8)18/h1-6H,(H,22,23)(H2,19,20,21,24)
【InChIKey】
InChIKey=BKXBYLCNVSLNNM-UHFFFAOYSA-N
【SMILES】
c1cc(c(c(c1)Cl)Cl)C(=O)NC(=S)Nc2ccc(cc2C(=O)O)Br
【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-[[[(2,3-DICHLOROBENZOYL)AMINO]THIOXOMETHYL]AMINO]-BENZOIC ACID.cml
Quick Release
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Catalog No:U75526 nullnull
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