535978-85-9
5-BROMO-2-[[THIOXO[(TRICHLOROACETYL)AMINO]METHYL]AMINO]-BENZOIC ACID
Name
5-BROMO-2-[[THIOXO[(TRICHLOROACETYL)AMINO]METHYL]AMINO]-BENZOIC ACID
Formula
C10 H6 Br Cl3 N2 O3 S
MolWeight
420.497
1Identification
【Name】
5-BROMO-2-[[THIOXO[(TRICHLOROACETYL)AMINO]METHYL]AMINO]-BENZOIC ACID
【CAS】
【MDL】
MFCD03573189
【English Synonyms】
【Formula】
C10 H6 Br Cl3 N2 O3 S
【MolWeight】
420.497
【Inchi】
InChI=1S/C10H6BrCl3N2O3S/c11-4-1-2-6(5(3-4)7(17)18)15-9(20)16-8(19)10(12,13)14/h1-3H,(H,17,18)(H2,15,16,19,20)
【InChIKey】
InChIKey=YLRBIHXHOWTINN-UHFFFAOYSA-N
【SMILES】
c1cc(c(cc1Br)C(=O)O)NC(=S)NC(=O)C(Cl)(Cl)Cl
【MOL File】
2Chemical and Physical Properties
【Computed Properties】
H bond donor:3
H bond acceptor:5
XLogP3:3.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
5-BROMO-2-[[THIOXO[(TRICHLOROACETYL)AMINO]METHYL]AMINO]-BENZOIC ACID.cml
Quick Release
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Catalog No:U80177 nullnull
Country/Region:United States
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