531542-69-5
3,5-DIBROMO-2-[[[(PHENYLACETYL)AMINO]THIOXOMETHYL]AMINO]-BENZOIC ACID
Name
3,5-DIBROMO-2-[[[(PHENYLACETYL)AMINO]THIOXOMETHYL]AMINO]-BENZOIC ACID
Formula
C16 H12 Br2 N2 O3 S
MolWeight
472.156
1Identification
【Name】
3,5-DIBROMO-2-[[[(PHENYLACETYL)AMINO]THIOXOMETHYL]AMINO]-BENZOIC ACID
【CAS】
【MDL】
MFCD03567295
【English Synonyms】
【Formula】
C16 H12 Br2 N2 O3 S
【MolWeight】
472.156
【Inchi】
InChI=1S/C16H12Br2N2O3S/c17-10-7-11(15(22)23)14(12(18)8-10)20-16(24)19-13(21)6-9-4-2-1-3-5-9/h1-5,7-8H,6H2,(H,22,23)(H2,19,20,21,24)
【InChIKey】
InChIKey=WMPDKSWVMFLIJZ-UHFFFAOYSA-N
【SMILES】
c1ccc(cc1)CC(=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
XLogP3:4.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
3,5-DIBROMO-2-[[[(PHENYLACETYL)AMINO]THIOXOMETHYL]AMINO]-BENZOIC ACID.cml
Quick Release
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Catalog No:U75994 nullnull
Country/Region:United States
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