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CHEBI:52042 - 2-(5'-chloro-2'-phosphoryloxyphenyl)-6-chloro-4-(3H)-quinazolinone

ChEBI IDCHEBI:52042
ChEBI Name2-(5'-chloro-2'-phosphoryloxyphenyl)-6-chloro-4-(3H)-quinazolinone
Stars
ASCII Name2-(5'-chloro-2'-phosphoryloxyphenyl)-6-chloro-4-(3H)-quinazolinone
Last Modified23 October 2014
SubmitterInma Spiteri
DownloadsMolfile
FormulaC14H9Cl2N2O5P
Net Charge0
Average Mass387.115
Monoisotopic Mass385.96261
SMILESO=c1nc(-c2cc(Cl)ccc2OP(=O)(O)O)nc2ccc(Cl)cc12
InChIInChI=1S/C14H9Cl2N2O5P/c15-7-1-3-11-9(5-7)14(19)18-13(17-11)10-6-8(16)2-4-12(10)23-24(20,21)22/h1-6H,(H,17,18,19)(H2,20,21,22)
InChIKeyIXZONVAEGFOVSF-UHFFFAOYSA-N
Roles Classification
Application:
fluorochrome  A fluorescent dye used to stain biological specimens.
ChEBI Ontology
Outgoing Relation(s)
2-(5'-chloro-2'-phosphoryloxyphenyl)-6-chloro-4-(3H)-quinazolinone (CHEBI:52042) has role fluorochrome (CHEBI:51217)
2-(5'-chloro-2'-phosphoryloxyphenyl)-6-chloro-4-(3H)-quinazolinone (CHEBI:52042) is a aryl phosphate (CHEBI:36943)
2-(5'-chloro-2'-phosphoryloxyphenyl)-6-chloro-4-(3H)-quinazolinone (CHEBI:52042) is a monochlorobenzenes (CHEBI:83403)
2-(5'-chloro-2'-phosphoryloxyphenyl)-6-chloro-4-(3H)-quinazolinone (CHEBI:52042) is a quinazolines (CHEBI:38530)
IUPAC Name 
4-chloro-2-(6-chloro-4-oxo-1,4-dihydroquinazolin-2-yl)phenyl dihydrogen phosphate
Synonym  Source
Elf-97ChEBI
Registry NumbersSources
Reaxys:7050534Reaxys
CAS:147394-94-3ChemIDplus