CHEBI:189658 - 4EGI-1

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name 4EGI-1
ChEBI ID CHEBI:189658
Stars This entity has been manually annotated by a third party.
Submitter Jinyang Du
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Formula C18H12Cl2N4O4S
Net Charge 0
Average Mass 451.280
Monoisotopic Mass 449.99563
InChI InChI=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)
InChIKey KFRKRECSIYXARE-UHFFFAOYSA-N
SMILES OC(=O)C(CC1=CC=CC=C1[N+]([O-])=O)=NNC1=NC(=CS1)C1=CC=C(Cl)C(Cl)=C1
Roles Classification
Chemical Role(s): Bronsted acid
A molecular entity capable of donating a hydron to an acceptor (Bronsted base).
(via oxoacid )
View more via ChEBI Ontology
ChEBI Ontology
Outgoing 4EGI-1 (CHEBI:189658) is a 1,3-thiazoles (CHEBI:38418)
4EGI-1 (CHEBI:189658) is a C-nitro compound (CHEBI:35716)
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 Xref Database
4EGI-1 Wikipedia
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Registry Number Type Source
315706-13-9 CAS Registry Number ChEBI
Citation Waiting for Citations Type Source
25049413 PubMed citation Europe PMC
Last Modified
14 February 2022