5-(4-Bromophenyl)-4,6-dichloropyrimidine

C₁₀H₅BrCl₂N₂CAS 146533-41-7303.97 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₁₀H₅BrCl₂N₂
Molar mass: 303.97 g/mol
Exact mass: 301.9013 Da
logP: 4.21Crippen estimate
Polar surface area: 25.8 Å²
H-bond donors / acceptors: 0 / 2
Rotatable bonds: 1

Hazards

Warning

H315 Causes skin irritation40% of notifiers
H317 May cause an allergic skin reaction20% of notifiers
H319 Causes serious eye irritation40% of notifiers

Aggregated from 5 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P272, P280, P302+P352, P305+P351+P338, P321, P332+P317, P333+P317, P337+P317, P362+P364, P501

Identifiers

CAS number

146533-41-7

SMILES

Clc1ncnc(Cl)c1-c1ccc(Br)cc1

InChIKey

WEEFLZORZXLIJE-UHFFFAOYSA-N

InChI

InChI=1S/C10H5BrCl2N2/c11-7-3-1-6(2-4-7)8-9(12)14-5-15-10(8)13/h1-5H

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Names and synonyms

2 names

Pyrimidine, 5-(4-bromophenyl)-4,6-dichloro-
4,6-Dichloro-5-(4-bromophenyl)pyrimidine

Work with 5-(4-Bromophenyl)-4,6-dichloropyrimidine

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-Bromo-4-chloro-quinazoline38267-96-850 % similar 7-Bromo-4-chloroquinazoline573675-55-550 % similar 5-Bromo-4,6-dichloropyrimidine68797-61-546 % similar 4,4''-Dibromo-P-terphenyl17788-94-244 % similar 4,4′-Dibromobiphenyl92-86-444 % similar 2,4,6-Tris(4-bromophenyl)-1,3,5-triazine30363-03-241 % similar 4,6-Dichloro-5-methylpyrimidine4316-97-641 % similar 9-(4-Bromophenyl)-10-phenylanthracene625854-02-641 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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