530147-60-5
5-BROMO-2-[[[(2-CHLORO-5-IODOBENZOYL)AMINO]THIOXOMETHYL]AMINO]-BENZOIC ACID
Name
5-BROMO-2-[[[(2-CHLORO-5-IODOBENZOYL)AMINO]THIOXOMETHYL]AMINO]-BENZOIC ACID
Formula
C15 H9 Br Cl I N2 O3 S
MolWeight
539.57
1Identification
【Name】
5-BROMO-2-[[[(2-CHLORO-5-IODOBENZOYL)AMINO]THIOXOMETHYL]AMINO]-BENZOIC ACID
【CAS】
【MDL】
MFCD03564767
【English Synonyms】
【Formula】
C15 H9 Br Cl I N2 O3 S
【MolWeight】
539.57
【Inchi】
InChI=1S/C15H9BrClIN2O3S/c16-7-1-4-12(10(5-7)14(22)23)19-15(24)20-13(21)9-6-8(18)2-3-11(9)17/h1-6H,(H,22,23)(H2,19,20,21,24)
【InChIKey】
InChIKey=CZRXNPVHVKSWIN-UHFFFAOYSA-N
【SMILES】
c1cc(c(cc1Br)C(=O)O)NC(=S)NC(=O)c2cc(ccc2Cl)I
【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-CHLORO-5-IODOBENZOYL)AMINO]THIOXOMETHYL]AMINO]-BENZOIC ACID.cml
Quick Release
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Catalog No:U88096 nullnull
Country/Region:United States
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