chempirical

7-Chloro-6-nitro-4-quinazolinol

C8H4ClN3O3CAS 53449-14-2225.59 g/mol

Open in Covalent MOL file
ON+O−HONNCl
Aryl halideNitroPhenol

Properties

Molecular formula
C8H4ClN3O3
Molar mass
225.59 g/mol
Exact mass
224.9941 Da
logP
1.90Crippen estimate
Polar surface area
89.2 Ų
H-bond donors / acceptors
1 / 5
Rotatable bonds
1

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number
53449-14-2
SMILES
O=[N+]([O-])c1cc2c(O)ncnc2cc1Cl
InChIKey
URDYTQYZXZKBQT-UHFFFAOYSA-N
InChI
InChI=1S/C8H4ClN3O3/c9-5-2-6-4(1-7(5)12(14)15)8(13)11-3-10-6/h1-3H,(H,10,11,13)

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Names and synonyms

5 names
  • 7-Chloro-6-nitro-4(3H)-quinazolinone
  • 4(3H)-Quinazolinone, 7-chloro-6-nitro-
  • 4(1H)-Quinazolinone, 7-chloro-6-nitro-
  • 7-Chloro-6-nitro-4(3H)-quinazolone
  • 6-Nitro-7-chloro-3,4-dihydroquinazolin-4-one

Work with 7-Chloro-6-nitro-4-quinazolinol

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

4-Chloro-7-fluoro-6-nitroquinazoline162012-70-650 % similar 1,3-Dichloro-4,6-dinitrobenzene3698-83-750 % similar 2,4-Dichloro-5-nitrophenol39489-77-550 % similar 2,4,5-Trichloronitrobenzene89-69-049 % similar 6-Hydroxy-5-nitro-4(3H)-pyrimidinone2164-83-248 % similar 4-Chloro-7-methoxy-6-nitroquinazoline55496-69-047 % similar 6-Chloro-5-nitro-1H-indazole101420-98-847 % similar 3-Chloro-5-nitro-2(1H)-pyridinone22353-38-447 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Elsewhere

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