2-(4-Chlorophenyl)-1H-indole

C₁₄H₁₀ClNCAS 1211-35-4227.69 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₁₄H₁₀ClN
Molar mass: 227.69 g/mol
Exact mass: 227.0502 Da
logP: 4.49Crippen estimate
Polar surface area: 15.8 Å²
H-bond donors / acceptors: 1 / 0
Rotatable bonds: 1

Hazards

Danger

H302 Harmful if swallowed50% of notifiers
H315 Causes skin irritation50% of notifiers
H318 Causes serious eye damage50% of notifiers
H319 Causes serious eye irritation50% of notifiers

Aggregated from 2 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P264, P264+P265, P270, P280, P301+P317, P302+P352, P305+P351+P338, P305+P354+P338, P317, P321, P330, P332+P317, P337+P317, P362+P364, P501

Identifiers

CAS number

1211-35-4

SMILES

C1=CC=C2C(=C1)C=C(N2)C3=CC=C(C=C3)Cl

InChIKey

KDNXKQSAAZNUCK-UHFFFAOYSA-N

InChI

InChI=1S/C14H10ClN/c15-12-7-5-10(6-8-12)14-9-11-3-1-2-4-13(11)16-14/h1-9,16H

Weigh it out

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

Names and synonyms

1 names

2-(4-Chlorophenyl)indole

Work with 2-(4-Chlorophenyl)-1H-indole

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-Phenylindole948-65-268 % similar 2-(2-Naphthyl)indole23746-81-861 % similar 2-(3-Chloro-4-fluorophenyl)indole1868-88-857 % similar 2-(3,4-Difluorophenyl)indole68290-36-854 % similar 4-Chlorobiphenyl2051-62-945 % similar 2-Chloro-9H-carbazole10537-08-343 % similar 3-Chlorocarbazole2732-25-443 % similar 2-Methylindole95-20-542 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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