2-Chloro-3-phenylquinoxaline

C₁₄H₉ClN₂CAS 7065-92-1240.69 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₁₄H₉ClN₂
Molar mass: 240.69 g/mol
Exact mass: 240.0454 Da
logP: 3.95Crippen estimate
Polar surface area: 25.8 Å²
H-bond donors / acceptors: 0 / 2
Rotatable bonds: 1

Hazards

Warning

H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers

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

Precautionary statements

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

Identifiers

CAS number

7065-92-1

SMILES

C1=CC=C(C=C1)C2=NC3=CC=CC=C3N=C2Cl

InChIKey

KPGPIQKEKAEAHM-UHFFFAOYSA-N

InChI

InChI=1S/C14H9ClN2/c15-14-13(10-6-2-1-3-7-10)16-11-8-4-5-9-12(11)17-14/h1-9H

Weigh it out

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

Work with 2-Chloro-3-phenylquinoxaline

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

2,3-Diphenylquinoxaline1684-14-667 % similar 2,3-Dichloroquinoxaline2213-63-063 % similar 4,6-Dichloro-2,5-diphenylpyrimidine29133-99-145 % similar 5-Chloro-2,3-diphenylpyrazine41270-66-042 % similar Phenazine92-82-042 % similar 2,4-Dichloroquinazoline607-68-141 % similar 2,4-Dichloro-6-phenyl-1,3,5-triazine1700-02-340 % similar 2-Chloro-4,6-diphenyl-1,3,5-triazine3842-55-540 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

2-Chloro-4-phenylquinazoline29874-83-7 4-Chloro-2-phenylquinazoline6484-25-9

Elsewhere

PubChem CAS Common Chemistry NIST WebBook