6-Bromoquinoxaline

C₈H₅BrN₂CAS 50998-17-9209.05 g/mol

Open in Covalent MOL file

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

Danger

H302 Harmful if swallowed97.6% of notifiers
H318 Causes serious eye damage92.9% of notifiers

Aggregated from 42 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P264, P264+P265, P270, P280, P301+P317, P305+P354+P338, P317, P330, P501

Identifiers

CAS number

50998-17-9

SMILES

C1=CC2=NC=CN=C2C=C1Br

InChIKey

NOYFLUFQGFNMRB-UHFFFAOYSA-N

InChI

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

Weigh it out

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

Work with 6-Bromoquinoxaline

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

7-Bromoquinoline4965-36-057 % similar 6-Bromoquinoline5332-25-257 % similar 5-Bromo-benzo[2,1,3]thiadiazole1753-75-952 % similar 5-Bromo-2,1,3-benzoxadiazole51376-06-852 % similar 6-Bromo-4-methylquinoline41037-28-952 % similar 6-Bromo-2-chloroquinoxaline55687-02-052 % similar 6-Bromo-4-chloroquinoline65340-70-752 % similar 7-Bromo-4-chloroquinoline75090-52-752 % similar

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

Same formula

2-Bromoquinoxaline36856-91-4 6-Bromo-quinazoline89892-21-7 7-Bromoquinazoline89892-22-8 5-Bromo-quinazoline958452-00-1

Elsewhere

PubChem CAS Common Chemistry NIST WebBook