535958-15-7
3,5-DIBROMO-2-[[[(2,4-DICHLOROBENZOYL)AMINO]THIOXOMETHYL]AMINO]-BENZOIC ACID
Name
3,5-DIBROMO-2-[[[(2,4-DICHLOROBENZOYL)AMINO]THIOXOMETHYL]AMINO]-BENZOIC ACID
Formula
C15 H8 Br2 Cl2 N2 O3 S
MolWeight
527.019
1Identification
【Name】
3,5-DIBROMO-2-[[[(2,4-DICHLOROBENZOYL)AMINO]THIOXOMETHYL]AMINO]-BENZOIC ACID
【CAS】
【MDL】
MFCD03572518
【English Synonyms】
【Formula】
C15 H8 Br2 Cl2 N2 O3 S
【MolWeight】
527.019
【Inchi】
InChI=1S/C15H8Br2Cl2N2O3S/c16-6-3-9(14(23)24)12(10(17)4-6)20-15(25)21-13(22)8-2-1-7(18)5-11(8)19/h1-5H,(H,23,24)(H2,20,21,22,25)
【InChIKey】
InChIKey=POPOTINMIYMRBH-UHFFFAOYSA-N
【SMILES】
c1cc(c(cc1Cl)Cl)C(=O)NC(=S)Nc2c(cc(cc2Br)Br)C(=O)O
【MOL File】
2Chemical and Physical Properties
【Computed Properties】
H bond donor:3
H bond acceptor:5
XLogP3:6.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
3,5-DIBROMO-2-[[[(2,4-DICHLOROBENZOYL)AMINO]THIOXOMETHYL]AMINO]-BENZOIC ACID.cml
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Catalog No:U85122 nullnull
Catalog No:U83190 nullnull
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