531531-60-9
3,5-DIBROMO-2-[[[(3-BROMOBENZOYL)AMINO]THIOXOMETHYL]AMINO]-BENZOIC ACID
Name
3,5-DIBROMO-2-[[[(3-BROMOBENZOYL)AMINO]THIOXOMETHYL]AMINO]-BENZOIC ACID
Formula
C15 H9 Br3 N2 O3 S
MolWeight
537.025
1Identification
【Name】
3,5-DIBROMO-2-[[[(3-BROMOBENZOYL)AMINO]THIOXOMETHYL]AMINO]-BENZOIC ACID
【CAS】
【MDL】
MFCD03566082
【English Synonyms】
【Formula】
C15 H9 Br3 N2 O3 S
【MolWeight】
537.025
【Inchi】
InChI=1S/C15H9Br3N2O3S/c16-8-3-1-2-7(4-8)13(21)20-15(24)19-12-10(14(22)23)5-9(17)6-11(12)18/h1-6H,(H,22,23)(H2,19,20,21,24)
【InChIKey】
InChIKey=XQIZPCBIPCVHAH-UHFFFAOYSA-N
【SMILES】
c1cc(cc(c1)Br)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
XLogP3:5.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
3,5-DIBROMO-2-[[[(3-BROMOBENZOYL)AMINO]THIOXOMETHYL]AMINO]-BENZOIC ACID.cml
Quick Release
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