532949-10-3
2-[[[(3,5-DINITROBENZOYL)AMINO]THIOXOMETHYL]AMINO]-5-IODO-BENZOIC ACID
Name
2-[[[(3,5-DINITROBENZOYL)AMINO]THIOXOMETHYL]AMINO]-5-IODO-BENZOIC ACID
Formula
C15 H9 I N4 O7 S
MolWeight
516.223
1Identification
【Name】
2-[[[(3,5-DINITROBENZOYL)AMINO]THIOXOMETHYL]AMINO]-5-IODO-BENZOIC ACID
【CAS】
【MDL】
MFCD03573901
【English Synonyms】
【Formula】
C15 H9 I N4 O7 S
【MolWeight】
516.223
【Inchi】
InChI=1S/C15H9IN4O7S/c16-8-1-2-12(11(5-8)14(22)23)17-15(28)18-13(21)7-3-9(19(24)25)6-10(4-7)20(26)27/h1-6H,(H,22,23)(H2,17,18,21,28)
【InChIKey】
InChIKey=YQOPIHKCBOFJDJ-UHFFFAOYSA-N
【SMILES】
c1cc(c(cc1I)C(=O)O)NC(=S)NC(=O)c2cc(cc(c2)[N+](=O)[O-])[N+](=O)[O-]
【MOL File】
2Chemical and Physical Properties
【Computed Properties】
H bond donor:3
H bond acceptor:11
XLogP3:3.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
2-[[[(3,5-DINITROBENZOYL)AMINO]THIOXOMETHYL]AMINO]-5-IODO-BENZOIC ACID.cml
Quick Release
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AsisChem, Inc.
Catalog No:U77921 nullnull
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Catalog No:U77921 nullnull
Country/Region:United States
Business Type:Trading Company
http://www.AsisChem.com
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