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CHEBI:189658 - 4EGI-1

ChEBI IDCHEBI:189658
ChEBI Name4EGI-1
Stars
Last Modified14 February 2022
Submitterjinyangd
DownloadsMolfile
FormulaC18H12Cl2N4O4S
Net Charge0
Average Mass451.291
Monoisotopic Mass449.99563
SMILESO=C(O)C(Cc1ccccc1[N+](=O)[O-])=NNc1nc(-c2ccc(Cl)c(Cl)c2)cs1
InChIInChI=1S/C18H12Cl2N4O4S/c19-12-6-5-10(7-13(12)20)15-9-29-18(21-15)23-22-14(17(25)26)8-11-3-1-2-4-16(11)24(27)28/h1-7,9H,8H2,(H,21,23)(H,25,26)
InChIKeyKFRKRECSIYXARE-UHFFFAOYSA-N
Wikipedia
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
ChEBI Ontology
Outgoing Relation(s)
4EGI-1 (CHEBI:189658) is a C-nitro compound (CHEBI:35716)
4EGI-1 (CHEBI:189658) is a 1,3-thiazoles (CHEBI:38418)
4EGI-1 (CHEBI:189658) is a dichlorobenzene (CHEBI:23697)
4EGI-1 (CHEBI:189658) is a hydrazone (CHEBI:38532)
4EGI-1 (CHEBI:189658) is a monocarboxylic acid (CHEBI:25384)
Manual XrefsDatabases
4EGI-1Wikipedia
Registry NumbersSources
CAS:315706-13-9ChEBI
Citations