chempirical

5-Bromo-quinazoline

C8H5BrN2CAS 958452-00-1209.05 g/mol

Open in Covalent MOL file
NNBr
Aryl halide

Properties

Molecular formula
C8H5BrN2
Molar mass
209.05 g/mol
Exact mass
207.9636 Da
logP
2.39Crippen estimate
Polar surface area
25.8 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
0

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
958452-00-1
SMILES
C1=CC2=NC=NC=C2C(=C1)Br
InChIKey
IAQNFOPKXLQOLR-UHFFFAOYSA-N
InChI
InChI=1S/C8H5BrN2/c9-7-2-1-3-8-6(7)4-10-5-11-8/h1-5H

Weigh it out

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Names and synonyms

1 names
  • 5-Bromoquinazoline

Work with 5-Bromo-quinazoline

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

5-Bromoquinoline4964-71-053 % similar 4-Bromoquinoline3964-04-348 % similar 8-Bromoisoquinoline63927-22-047 % similar Quinazoline253-82-747 % similar 5-Bromo-4-chloropyrimidine56181-39-645 % similar 5-Bromo-7H-pyrrolo[2,3-D]pyrimidine175791-49-844 % similar 7-Bromobenzothiazole767-70-444 % similar 5-Bromoisoquinoline34784-04-842 % similar

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

Same formula

2-Bromoquinoxaline36856-91-4 6-Bromoquinoxaline50998-17-9 6-Bromo-quinazoline89892-21-7 7-Bromoquinazoline89892-22-8

Elsewhere

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