4-Chloro-6-iodoquinazoline

C₈H₄ClIN₂CAS 98556-31-1290.49 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₈H₄ClIN₂
Molar mass: 290.49 g/mol
Exact mass: 289.9108 Da
logP: 2.89Crippen estimate
Polar surface area: 25.8 Å²
H-bond donors / acceptors: 0 / 2
Rotatable bonds: 0

Hazards

Warning

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, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

98556-31-1

SMILES

C1=CC2=C(C=C1I)C(=NC=N2)Cl

InChIKey

BDAIUOPDSRAOKI-UHFFFAOYSA-N

InChI

InChI=1S/C8H4ClIN2/c9-8-6-3-5(10)1-2-7(6)11-4-12-8/h1-4H

Weigh it out

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

Work with 4-Chloro-6-iodoquinazoline

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-Iodo-4(3H)-quinazolinone16064-08-759 % similar 6-Bromo-4-chloro-quinazoline38267-96-859 % similar 4-Chloroquinazoline-6-carbonitrile150449-97-154 % similar 4-Chloro-quinazoline5190-68-153 % similar 4-Chloro-6-nitroquinazoline19815-16-850 % similar 4-Chloro-6-iodo-thieno[3,2-D]pyrimidine225382-62-746 % similar 7-Bromo-4-chloroquinazoline573675-55-546 % similar 4-Chloro-6,7-dimethoxyquinazoline13790-39-145 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook