530154-01-9
3,5-DIBROMO-2-[[[(4-NITROBENZOYL)AMINO]THIOXOMETHYL]AMINO]-BENZOIC ACID
Name
3,5-DIBROMO-2-[[[(4-NITROBENZOYL)AMINO]THIOXOMETHYL]AMINO]-BENZOIC ACID
Formula
C15 H9 Br2 N3 O5 S
MolWeight
503.126
1Identification
【Name】
3,5-DIBROMO-2-[[[(4-NITROBENZOYL)AMINO]THIOXOMETHYL]AMINO]-BENZOIC ACID
【CAS】
【MDL】
MFCD03565209
【English Synonyms】
【Formula】
C15 H9 Br2 N3 O5 S
【MolWeight】
503.126
【Inchi】
InChI=1S/C15H9Br2N3O5S/c16-8-5-10(14(22)23)12(11(17)6-8)18-15(26)19-13(21)7-1-3-9(4-2-7)20(24)25/h1-6H,(H,22,23)(H2,18,19,21,26)
【InChIKey】
InChIKey=JFRBAXVYXLKCDC-UHFFFAOYSA-N
【SMILES】
c1cc(ccc1C(=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-[[[(4-NITROBENZOYL)AMINO]THIOXOMETHYL]AMINO]-BENZOIC ACID.cml
Quick Release
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Catalog No:U89958 nullnull
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