535977-69-6
3,5-DIBROMO-2-[[[(2-NITROBENZOYL)AMINO]THIOXOMETHYL]AMINO]-BENZOIC ACID
Name
3,5-DIBROMO-2-[[[(2-NITROBENZOYL)AMINO]THIOXOMETHYL]AMINO]-BENZOIC ACID
Formula
C15 H9 Br2 N3 O5 S
MolWeight
503.126
1Identification
【Name】
3,5-DIBROMO-2-[[[(2-NITROBENZOYL)AMINO]THIOXOMETHYL]AMINO]-BENZOIC ACID
【CAS】
【MDL】
MFCD03573086
【English Synonyms】
【Formula】
C15 H9 Br2 N3 O5 S
【MolWeight】
503.126
【Inchi】
InChI=1S/C15H9Br2N3O5S/c16-7-5-9(14(22)23)12(10(17)6-7)18-15(26)19-13(21)8-3-1-2-4-11(8)20(24)25/h1-6H,(H,22,23)(H2,18,19,21,26)
【InChIKey】
InChIKey=BVWDGQVIDOOREY-UHFFFAOYSA-N
【SMILES】
c1ccc(c(c1)C(=O)NC(=S)Nc2c(cc(cc2Br)Br)C(=O)O)[N+](=O)[O-]
【MOL File】
2Chemical and Physical Properties
【Computed Properties】
H bond donor:3
H bond acceptor:8
XLogP3:4.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
3,5-DIBROMO-2-[[[(2-NITROBENZOYL)AMINO]THIOXOMETHYL]AMINO]-BENZOIC ACID.cml
Quick Release
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