6-Bromo-quinazoline

C₈H₅BrN₂CAS 89892-21-7209.05 g/mol

Open in Covalent MOL file

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 Å²
H-bond donors / acceptors: 0 / 2
Rotatable bonds: 0

Hazards

Warning

H302 Harmful if swallowed66.7% of notifiers
H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H335 May cause respiratory irritation66.7% of notifiers

Aggregated from 3 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

89892-21-7

SMILES

C1=CC2=NC=NC=C2C=C1Br

InChIKey

FLQBSQZDZFVMTO-UHFFFAOYSA-N

InChI

InChI=1S/C8H5BrN2/c9-7-1-2-8-6(3-7)4-10-5-11-8/h1-5H

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

1 names

6-Bromoquinazoline

Work with 6-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

6-Bromoquinoline5332-25-253 % similar 6-Bromo-2-chloroquinazoline882672-05-153 % similar Quinazoline253-82-750 % similar 6-Bromoisoquinoline34784-05-950 % similar 7-Bromoisoquinoline58794-09-550 % similar Quinazoline-6-carboxylic acid676326-53-747 % similar 3-Bromoquinoline5332-24-145 % similar 2,6-Dibromonaphthalene13720-06-444 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

2-Bromoquinoxaline36856-91-4 6-Bromoquinoxaline50998-17-9 7-Bromoquinazoline89892-22-8 5-Bromo-quinazoline958452-00-1

Elsewhere

PubChem CAS Common Chemistry NIST WebBook