531544-41-9
3,5-DIIODO-2-[[[(3-NITROBENZOYL)AMINO]THIOXOMETHYL]AMINO]-BENZOIC ACID
Name
3,5-DIIODO-2-[[[(3-NITROBENZOYL)AMINO]THIOXOMETHYL]AMINO]-BENZOIC ACID
Formula
C15 H9 I2 N3 O5 S
MolWeight
597.118
1Identification
【Name】
3,5-DIIODO-2-[[[(3-NITROBENZOYL)AMINO]THIOXOMETHYL]AMINO]-BENZOIC ACID
【CAS】
【MDL】
MFCD03566492
【English Synonyms】
【Formula】
C15 H9 I2 N3 O5 S
【MolWeight】
597.118
【Inchi】
InChI=1S/C15H9I2N3O5S/c16-8-5-10(14(22)23)12(11(17)6-8)18-15(26)19-13(21)7-2-1-3-9(4-7)20(24)25/h1-6H,(H,22,23)(H2,18,19,21,26)
【InChIKey】
InChIKey=RSZFWBLLJSQPTA-UHFFFAOYSA-N
【SMILES】
c1cc(cc(c1)[N+](=O)[O-])C(=O)NC(=S)Nc2c(cc(cc2I)I)C(=O)O
【MOL File】
2Chemical and Physical Properties
【Computed Properties】
H bond donor:3
H bond acceptor:8
XLogP3:5.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
3,5-DIIODO-2-[[[(3-NITROBENZOYL)AMINO]THIOXOMETHYL]AMINO]-BENZOIC ACID.cml
Quick Release
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Catalog No:U85110 nullnull
Country/Region:United States
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